data_2jwe_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 2jwe _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 42.7 mttm . . . . . 0 CA--C 1.528 0.116 0 CA-C-O 120.661 0.267 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.4 t -107.04 113.93 44.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.247 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -116.94 123.2 46.4 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.221 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -121.63 160.27 24.74 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.781 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.1 t -128.21 102.72 8.86 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.15 0 CA-C-O 120.855 0.359 . . . . 0.0 111.343 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.437 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 2.0 ttmt . . . . . 0 N--CA 1.464 0.275 0 CA-C-O 121.282 0.563 . . . . 0.0 110.818 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 . . . . . 0 N--CA 1.463 0.198 0 CA-C-O 120.916 0.389 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.437 ' CZ ' ' HB2' ' A' ' 7' ' ' LYS . 59.4 m-85 -65.58 -31.56 72.67 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.424 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.12 48.47 73.82 Favored Glycine 0 C--N 1.338 0.667 0 C-N-CA 121.117 -0.564 . . . . 0.0 112.741 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 pp -118.04 124.05 47.16 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.782 0.325 . . . . 0.0 110.976 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.459 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 1.1 mmt180 -75.42 111.93 11.21 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.445 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.413 HD12 HG21 ' B' ' 22' ' ' ILE . 0.6 OUTLIER -99.77 133.57 43.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.431 -179.396 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -134.45 175.7 9.29 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.653 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.8 p -141.57 151.9 43.6 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.002 0.43 . . . . 0.0 111.826 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.409 ' HD2' ' CE1' ' B' ' 23' ' ' PHE . 0.2 OUTLIER -119.04 177.81 4.73 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.578 179.614 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 29.3 mm -132.47 140.77 46.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.814 0.34 . . . . 0.0 111.203 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.418 ' CE1' ' HD2' ' B' ' 21' ' ' HIS . 12.5 p90 -149.41 176.42 10.6 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.363 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 26.2 t -102.75 106.86 20.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.866 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.464 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 6.0 tptp -59.45 -35.71 74.57 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.304 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -175.11 175.21 2.31 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.94 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.4 mp -130.65 137.46 56.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.923 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.7 m -77.4 148.88 35.26 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.842 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.0 155.45 34.95 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.836 0.35 . . . . 0.0 111.25 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 54.05 34.61 20.24 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.179 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.2 p -109.41 173.12 6.47 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.911 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.0 mt -60.85 -37.03 80.69 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.795 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.66 -45.78 91.24 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.044 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.69 -39.25 90.78 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.183 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -74.23 -39.22 63.21 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.731 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -68.26 -35.03 77.26 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.348 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.31 44.81 92.95 Favored Glycine 0 C--N 1.336 0.532 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.585 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.413 ' HB3' HG13 ' B' ' 3' ' ' VAL . 2.5 m-80 -123.78 -46.39 1.99 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.481 0.182 . . . . 0.0 111.418 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.6 mp -83.5 124.24 39.45 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.138 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -118.02 155.97 29.38 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -61.33 110.8 1.52 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.725 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.49 4.95 43.12 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 121.002 -0.618 . . . . 0.0 113.106 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.77 131.99 47.1 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.916 0.358 . . . . 0.0 110.934 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 30.9 t -93.08 115.18 31.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.925 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.9 t -91.27 136.81 23.27 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.386 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.6 mp -112.14 -39.6 4.42 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.179 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -132.47 151.95 51.71 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.84 0.353 . . . . 0.0 111.341 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 38.5 mt -140.43 124.0 17.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.608 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 57.99 31.84 21.16 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.267 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.69 32.79 40.1 Favored Glycine 0 C--N 1.337 0.607 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.736 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -144.02 137.86 27.96 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.714 0.257 . . . . 0.0 110.672 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.9 t -62.93 145.74 13.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.4 m -128.52 34.86 4.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.331 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -103.74 144.0 32.05 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.709 0.29 . . . . 0.0 110.319 179.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 67.91 7.52 5.83 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.868 -179.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -93.29 159.83 15.09 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.757 0.313 . . . . 0.0 111.005 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.3 m -77.25 148.45 35.77 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.804 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 32.7 tp -55.19 -30.23 59.5 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.964 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.71 -43.13 90.08 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.978 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.91 -41.01 86.24 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.829 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.33 -37.08 74.41 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.612 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.3 mmtt -65.11 -35.91 82.62 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.503 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.71 -43.79 92.31 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.446 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.12 -35.56 64.79 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.739 0.304 . . . . 0.0 110.491 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 22.7 mt -71.72 -32.47 45.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.698 179.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -75.88 -37.95 58.35 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.773 0.321 . . . . 0.0 110.846 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -59.87 -33.34 71.69 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.206 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.6 114.86 2.68 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.816 0.341 . . . . 0.0 111.538 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.78 -35.79 64.98 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.09 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -149.47 -67.51 0.01 OUTLIER Glycine 0 C--N 1.334 0.449 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.731 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.5 128.52 35.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.594 0.235 . . . . 0.0 111.315 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -113.93 124.14 51.46 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.916 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.6 mttm -102.22 138.84 38.63 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.83 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 9.0 mtp -146.5 119.66 8.87 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.839 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 22.3 t -98.61 111.26 27.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.692 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 10.3 m -106.71 170.23 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.437 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.234 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.379 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 8.6 m . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 120.743 0.306 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -99.02 124.97 44.39 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.004 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' VAL . . . . . 0.413 HG13 ' HB3' ' A' ' 38' ' ' ASN . 24.4 t -103.61 125.08 58.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.713 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.89 109.73 11.51 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.18 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -100.0 158.33 15.9 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.651 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 15.8 t -135.51 98.65 2.1 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 CA-C-O 120.962 0.41 . . . . 0.0 111.228 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt . . . . . 0 C--N 1.332 -0.168 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.594 179.578 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 . . . . . 0 C--O 1.233 0.198 0 CA-C-O 120.664 0.269 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -58.72 -42.77 89.48 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.025 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 51.4 53.86 26.46 Favored Glycine 0 C--N 1.337 0.602 0 C-N-CA 121.306 -0.473 . . . . 0.0 112.995 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 pp -119.21 117.94 29.98 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 120.845 0.355 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.464 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -71.7 114.96 10.33 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.544 179.893 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.88 137.33 37.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.577 -179.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.413 ' CB ' ' CZ ' ' A' ' 23' ' ' PHE . . . -139.54 179.52 6.51 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.749 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 60.6 p -147.63 154.57 40.81 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.984 0.421 . . . . 0.0 111.753 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' HIS . . . . . 0.418 ' HD2' ' CE1' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -122.03 176.93 5.54 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.694 179.845 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . 0.413 HG21 HD12 ' A' ' 18' ' ' LEU . 34.8 mm -131.22 138.3 53.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-O 120.828 0.347 . . . . 0.0 111.292 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.409 ' CE1' ' HD2' ' A' ' 21' ' ' HIS . 9.9 p90 -147.62 175.29 10.99 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.0 t -105.27 112.95 40.91 Favored 'Isoleucine or valine' 0 C--O 1.233 0.184 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.982 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.459 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 5.3 tptt -62.72 -38.78 91.82 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.107 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -174.57 174.13 2.76 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 2.9 mt -127.09 133.9 67.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.832 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 37.6 m -73.64 143.27 46.36 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -70.89 148.24 47.97 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.032 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 59.48 38.76 22.44 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.318 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.75 171.36 7.8 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.124 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 45.3 mt -55.54 -44.59 76.89 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.212 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.9 -50.62 73.32 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.456 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.82 -36.6 83.73 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.107 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.32 -38.67 71.69 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.182 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.2 -34.29 59.28 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.47 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.84 43.73 65.2 Favored Glycine 0 C--N 1.334 0.438 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.911 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -118.12 -44.15 2.71 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.628 0.214 . . . . 0.0 111.363 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 28.2 mt -86.12 136.38 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.154 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -128.98 159.21 36.61 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -64.46 113.84 3.93 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.8 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.72 6.11 47.06 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 121.041 -0.6 . . . . 0.0 113.062 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.34 127.72 33.99 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 117.07 0.435 . . . . 0.0 110.783 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 31.7 t -90.56 101.94 12.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.184 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.691 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 25.9 t -80.6 132.67 31.15 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.454 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 8.4 tt -106.83 -42.88 4.82 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.892 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 5.0 mtpm? -127.83 157.96 39.02 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.862 0.363 . . . . 0.0 111.79 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 22.2 mt -138.87 119.94 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.575 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 14.2 p30 44.25 33.99 0.94 Allowed 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.967 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 88.92 37.08 7.43 Favored Glycine 0 C--N 1.335 0.476 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.873 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -152.05 122.08 7.11 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.755 0.277 . . . . 0.0 110.814 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 40.0 t -71.05 139.24 20.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.786 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -122.83 47.59 1.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.482 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.66 142.31 35.62 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.824 0.345 . . . . 0.0 110.298 179.014 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 69.64 6.42 5.7 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.06 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 3.5 ttm -89.15 -172.22 3.57 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.723 0.297 . . . . 0.0 110.886 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 77.3 p -101.17 149.92 23.49 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.834 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 9.7 tp -56.4 -30.01 62.23 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.818 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -43.09 93.62 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.84 -41.16 86.26 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.754 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.57 -36.56 71.85 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.597 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -67.53 -34.89 78.01 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.627 179.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.27 -41.18 70.35 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.23 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.17 -39.47 69.57 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.848 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 42.2 mt -68.8 -31.47 50.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.7 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -69.79 -41.14 75.48 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.746 0.308 . . . . 0.0 110.853 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -74.53 -25.25 59.2 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.597 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 1.2 m -73.92 73.16 1.62 Allowed 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.988 0.423 . . . . 0.0 110.547 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.05 83.99 7.38 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.839 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 140.29 -126.75 3.28 Favored Glycine 0 C--N 1.333 0.399 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.537 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -79.7 131.35 35.93 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.764 0.316 . . . . 0.0 111.154 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.68 118.87 35.54 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.709 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 20.8 ttpp -117.62 105.95 12.59 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.984 0.421 . . . . 0.0 110.642 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -114.93 156.1 25.65 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.82 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 18.7 t -116.8 116.97 53.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 6.6 m -101.92 150.84 5.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.404 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? . . . . . 0 C--O 1.233 0.195 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.736 179.838 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.21 0 CA-C-O 120.839 0.352 . . . . 0.0 111.343 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.418 HG21 ' HB3' ' B' ' 38' ' ' ASN . 25.1 t -110.77 130.78 63.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.863 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.9 m -128.8 106.23 8.78 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 120.787 0.327 . . . . 0.0 111.011 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 32.5 mt -100.98 159.72 14.98 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.867 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.1 t -130.64 102.21 6.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.225 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.468 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.466 0.325 0 CA-C-O 120.869 0.366 . . . . 0.0 111.401 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.806 0.336 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.468 ' CZ ' ' HB2' ' A' ' 7' ' ' LYS . 56.2 m-85 -66.43 -26.96 67.47 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.541 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.54 41.81 82.38 Favored Glycine 0 C--N 1.337 0.616 0 C-N-CA 121.339 -0.457 . . . . 0.0 113.27 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 pp -113.71 121.89 45.46 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-O 120.839 0.352 . . . . 0.0 110.933 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.423 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -82.91 109.81 17.36 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.744 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.93 131.62 45.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.404 ' HB1' ' OD1' ' A' ' 55' ' ' ASN . . . -129.1 171.39 12.44 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.767 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.6 p -133.73 150.05 51.49 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 120.968 0.413 . . . . 0.0 111.727 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -113.18 178.12 4.39 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.876 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.413 HG13 ' HB ' ' A' ' 53' ' ' THR . 21.4 mm -131.7 136.37 57.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-O 120.807 0.337 . . . . 0.0 111.614 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.4 ' CZ ' ' CB ' ' B' ' 19' ' ' ALA . 18.3 p90 -149.5 179.6 7.84 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 26.3 t -107.76 116.25 50.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.033 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.464 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 8.4 tptm -62.93 -44.25 96.58 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.424 ' HG3' ' HB2' ' B' ' 17' ' ' ARG . 0.0 OUTLIER -174.6 175.04 2.57 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.881 0.372 . . . . 0.0 111.084 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.2 mp -129.79 143.5 40.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.141 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.8 t -80.56 149.79 29.82 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.344 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -81.04 147.53 30.11 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 60.02 35.59 21.46 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.231 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.5 m -113.72 179.45 3.96 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.875 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 40.6 mt -58.61 -38.43 77.97 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.777 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.47 -38.74 81.35 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.17 -45.62 92.49 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.126 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.77 -41.5 75.08 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.941 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -64.94 -37.89 89.15 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.318 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.12 37.26 94.62 Favored Glycine 0 C--N 1.335 0.496 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.504 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -109.01 -54.81 2.48 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-O 120.514 0.197 . . . . 0.0 111.079 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.4 mp -69.2 130.25 34.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.932 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -125.7 150.67 47.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -62.93 116.14 5.02 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.4 -12.66 51.35 Favored Glycine 0 CA--C 1.523 0.572 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.985 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -55.92 137.66 50.09 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.991 0.395 . . . . 0.0 111.256 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.8 t -100.12 109.2 24.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.9 t -86.9 133.57 29.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.439 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -98.71 -41.14 7.82 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.189 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -133.55 155.8 48.95 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.017 0.437 . . . . 0.0 111.699 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.1 mt -139.14 120.91 16.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.514 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 58.22 31.18 20.48 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.443 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.76 33.58 24.14 Favored Glycine 0 C--N 1.334 0.47 0 C-N-CA 120.83 -0.7 . . . . 0.0 113.252 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -153.0 131.72 12.35 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.865 0.332 . . . . 0.0 110.803 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 18.0 t -73.73 139.9 18.61 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.407 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.413 ' HB ' HG13 ' A' ' 22' ' ' ILE . 0.8 OUTLIER -114.48 19.67 15.98 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -76.34 140.04 41.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.005 0.431 . . . . 0.0 110.518 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.404 ' OD1' ' HB1' ' A' ' 19' ' ' ALA . 7.2 m-20 63.4 17.87 10.62 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.812 -179.337 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.7 ttm -104.94 160.06 15.32 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.784 0.326 . . . . 0.0 110.817 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.0 t -64.98 137.39 57.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.441 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.414 HD23 ' HB2' ' B' ' 55' ' ' ASN . 11.9 tp -54.48 -35.15 62.77 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.747 0.308 . . . . 0.0 110.748 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.24 -39.42 94.56 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.882 179.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -58.89 -45.6 89.87 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.779 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.66 -39.01 72.98 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.928 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -63.61 -38.83 92.62 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.76 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.88 -43.23 85.93 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.53 -37.63 68.19 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.787 0.327 . . . . 0.0 110.33 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 33.4 mt -75.83 -30.89 21.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.831 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -65.57 -48.54 72.04 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.784 0.326 . . . . 0.0 110.78 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.0 ttp-105 -65.65 -28.92 69.45 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.247 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.426 ' CB ' ' HG ' ' A' ' 72' ' ' LEU . 4.3 m -65.41 95.51 0.21 Allowed 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.72 0.295 . . . . 0.0 110.888 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -120.64 47.81 1.72 Allowed 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.921 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -178.37 -62.31 0.07 OUTLIER Glycine 0 C--N 1.334 0.424 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.882 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -138.21 123.24 19.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.629 0.252 . . . . 0.0 110.775 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.473 ' HB2' ' CE1' ' B' ' 14' ' ' TYR . 0.4 OUTLIER -108.93 137.12 47.36 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.026 -179.905 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -125.4 134.11 52.26 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.803 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -137.16 150.32 47.86 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.958 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.6 t -121.45 112.62 36.11 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.089 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 17.4 t -101.54 159.32 4.11 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.898 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 . . . . . 0 C--O 1.233 0.226 0 CA-C-O 120.72 0.295 . . . . 0.0 111.073 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 120.733 0.302 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.31 124.04 49.21 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.894 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 22.3 t -103.52 127.49 57.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.107 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 1.7 m -128.53 105.81 8.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.869 0.366 . . . . 0.0 110.743 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 73.0 mt -100.36 157.62 16.48 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.779 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 10.5 t -128.58 105.91 13.74 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-O 120.886 0.374 . . . . 0.0 111.315 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 1.9 ttmm . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.896 179.563 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 . . . . . 0 CA--C 1.531 0.245 0 CA-C-O 120.804 0.335 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . 0.473 ' CE1' ' HB2' ' A' ' 72' ' ' LEU . 25.5 m-85 -55.05 -37.45 66.72 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.253 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.76 46.36 93.54 Favored Glycine 0 C--N 1.337 0.601 0 C-N-CA 121.156 -0.545 . . . . 0.0 113.191 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 pp -117.2 119.78 36.25 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.849 0.357 . . . . 0.0 110.737 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.464 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -77.99 117.52 19.39 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.789 -179.761 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.49 138.58 37.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.212 -179.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.4 ' CB ' ' CZ ' ' A' ' 23' ' ' PHE . . . -140.13 179.09 6.83 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.399 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 57.7 p -143.76 157.99 43.99 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.922 0.392 . . . . 0.0 111.65 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -118.92 178.24 4.56 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.722 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -134.15 132.71 55.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.684 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -144.63 177.33 8.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.043 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -105.45 116.4 49.18 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.177 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.423 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 4.3 tptp -66.43 -44.88 81.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.966 179.539 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -176.95 174.26 1.75 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.896 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 3.9 mp -125.07 135.5 63.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.74 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 39.2 t -83.89 148.45 26.94 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.251 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -69.72 156.59 38.75 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 58.98 36.64 24.53 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.924 -179.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 23.1 p -118.9 168.9 10.34 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.424 ' HB2' ' HA ' ' A' ' 14' ' ' TYR . 26.3 mt -62.53 -38.45 90.03 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.112 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.31 -41.13 98.27 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.61 0.243 . . . . 0.0 111.035 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.2 -42.78 96.5 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.107 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -71.02 -43.02 68.79 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.679 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -63.46 -37.22 86.46 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.312 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.1 30.42 77.71 Favored Glycine 0 C--N 1.335 0.508 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.816 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.418 ' HB3' HG21 ' A' ' 3' ' ' VAL . 10.7 m-80 -110.15 -33.21 6.73 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 111.578 0.214 . . . . 0.0 111.578 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 26.4 mt -91.67 132.44 36.11 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-O 120.705 0.288 . . . . 0.0 111.133 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -130.97 162.68 29.21 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.024 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -67.71 124.33 22.97 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.819 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.19 -17.74 56.56 Favored Glycine 0 CA--C 1.521 0.424 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.917 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -54.21 120.3 6.3 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.936 0.368 . . . . 0.0 110.941 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 41.0 t -86.1 103.27 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.303 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 19.9 t -71.56 108.81 3.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 CA-C-O 121.022 0.439 . . . . 0.0 111.331 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.2 mp -74.43 -50.14 19.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.087 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 21.3 mttp -139.13 149.73 44.84 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.905 0.383 . . . . 0.0 111.241 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 45.9 mt -131.56 122.7 50.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.529 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 57.74 35.13 25.25 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.837 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.95 33.71 44.92 Favored Glycine 0 C--N 1.337 0.601 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.988 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.63 131.05 19.76 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.737 0.268 . . . . 0.0 110.611 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 17.4 t -61.71 139.4 20.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.162 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -115.09 36.29 3.96 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.092 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -104.15 148.45 26.27 Favored 'General case' 0 N--CA 1.458 -0.049 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 178.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . 0.414 ' HB2' HD23 ' A' ' 58' ' ' LEU . 6.4 p30 54.13 15.63 0.96 Allowed 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.15 -179.088 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -95.24 138.2 33.26 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.666 0.27 . . . . 0.0 110.432 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 4.6 m -56.73 146.64 25.2 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.978 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 42.9 tp -53.87 -32.83 54.51 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.729 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.57 -38.8 84.59 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.608 179.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -57.51 -42.11 82.14 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.48 -39.51 76.59 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.935 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 6.1 mttp -64.24 -39.51 94.11 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.486 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.85 -38.14 87.14 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.045 179.541 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 9.2 mt -55.73 -38.47 69.81 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.778 0.323 . . . . 0.0 110.296 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 8.5 mt -74.58 -31.4 27.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.81 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -69.07 -52.19 31.05 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.01 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -58.83 -31.3 68.37 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.323 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' SER . . . . . 0.409 ' CB ' ' HG ' ' B' ' 72' ' ' LEU . 2.0 m -60.45 116.15 4.1 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.213 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -60.93 -80.02 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.126 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -120.88 -67.25 0.27 Allowed Glycine 0 C--N 1.335 0.521 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.692 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -77.73 129.3 35.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.702 0.287 . . . . 0.0 110.945 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . 0.449 HD12 ' CE2' ' A' ' 14' ' ' TYR . 0.6 OUTLIER -115.11 147.99 39.53 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.06 121.26 33.82 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.789 179.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 14.0 mtp -127.97 123.44 34.8 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.738 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 29.7 t -98.17 119.07 45.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.747 0.308 . . . . 0.0 111.113 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 28.0 m -112.77 170.19 4.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.479 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 . . . . . 0 CA--C 1.532 0.277 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.001 179.806 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.0 mttm . . . . . 0 C--O 1.233 0.207 0 CA-C-O 120.774 0.321 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.6 t -104.4 124.59 59.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.8 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.23 108.51 10.66 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 120.846 0.355 . . . . 0.0 110.937 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -103.45 160.41 14.74 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.794 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.3 t -128.77 99.69 5.09 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.977 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.446 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 1.5 ttmm . . . . . 0 N--CA 1.465 0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.081 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.774 0.321 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.446 ' CZ ' ' HB2' ' A' ' 7' ' ' LYS . 76.0 m-85 -61.1 -38.16 85.34 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.363 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.36 41.1 53.52 Favored Glycine 0 C--N 1.336 0.564 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.817 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 pp -127.09 126.26 42.69 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.788 0.327 . . . . 0.0 110.911 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.408 ' CB ' ' HB3' ' B' ' 25' ' ' LYS . 1.6 mtt180 -83.03 117.09 22.58 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.457 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.28 132.85 42.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.083 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -139.2 166.78 23.64 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.16 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 87.8 p -118.6 149.76 40.82 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.844 0.354 . . . . 0.0 111.226 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -115.62 174.92 5.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.403 HG13 HG23 ' A' ' 53' ' ' THR . 34.6 mm -129.65 136.89 58.13 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.942 179.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.41 ' CZ ' ' HB2' ' B' ' 19' ' ' ALA . 13.4 p90 -144.14 173.12 12.01 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.3 t -98.09 114.58 35.91 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.831 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.641 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 4.5 tttm -66.92 -38.97 87.2 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.511 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -179.56 178.54 0.66 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.919 0.39 . . . . 0.0 111.196 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.1 mp -128.73 144.38 38.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.983 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.4 t -84.58 158.51 20.88 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.902 0.382 . . . . 0.0 111.039 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -84.66 143.56 29.14 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.248 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 59.94 33.71 21.5 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.572 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.1 m -112.05 175.52 5.4 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.581 -0.282 . . . . 0.0 111.069 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.43 ' HB2' ' HA ' ' B' ' 14' ' ' TYR . 72.0 mt -55.26 -45.42 76.1 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.958 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.51 -45.0 96.04 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.216 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.3 -40.51 96.07 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.82 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -70.83 -43.18 69.11 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.745 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.07 -40.86 95.27 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.187 179.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.53 32.72 82.47 Favored Glycine 0 C--N 1.334 0.464 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.541 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.451 ' HB3' HG13 ' B' ' 3' ' ' VAL . 2.7 m-80 -109.6 -32.38 7.13 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 111.478 0.177 . . . . 0.0 111.478 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.407 HG13 HG13 ' B' ' 3' ' ' VAL . 2.0 mt -93.1 134.89 29.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.315 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -123.5 139.56 53.89 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.602 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.06 128.54 37.31 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.768 0.318 . . . . 0.0 110.712 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.44 -21.16 42.04 Favored Glycine 0 CA--C 1.521 0.439 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.714 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -56.41 148.88 17.99 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.829 0.347 . . . . 0.0 111.279 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.8 t -106.52 117.73 52.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.841 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.9 t -95.02 119.93 43.75 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.246 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.8 tt -88.99 -45.33 9.74 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.99 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -124.14 151.77 43.57 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.992 0.425 . . . . 0.0 111.455 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 36.3 mt -139.59 121.57 16.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.509 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 59.51 35.44 22.76 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.392 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.3 28.89 63.05 Favored Glycine 0 C--N 1.336 0.573 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.821 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.71 145.98 37.2 Favored 'General case' 0 C--O 1.23 0.071 0 CA-C-N 116.673 0.237 . . . . 0.0 110.633 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.7 t -77.4 138.16 20.98 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.616 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.403 HG23 HG13 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -116.68 19.83 14.33 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.674 -179.85 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.15 150.52 27.39 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.298 179.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.6 p30 51.83 18.88 0.84 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.375 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.8 tpp -96.43 170.98 8.85 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.755 0.312 . . . . 0.0 110.78 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.0 m -80.0 143.46 34.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.739 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.07 -34.71 66.22 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.697 179.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.78 -38.56 73.41 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.558 179.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -56.85 -45.2 82.56 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.77 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.63 -38.53 75.14 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.9 -36.36 84.12 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.522 179.182 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.15 -41.54 97.13 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.0 mt -54.17 -36.18 63.1 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.287 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.2 mt -66.79 -34.34 69.38 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.823 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -77.03 -45.59 26.69 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.64 0.257 . . . . 0.0 111.012 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.9 ttp85 -66.27 -14.8 62.55 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.834 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 70.2 m -51.94 114.18 1.22 Allowed 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.84 0.352 . . . . 0.0 111.206 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.25 78.47 0.98 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.497 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 76.8 -93.56 1.05 Allowed Glycine 0 C--N 1.334 0.418 0 C-N-CA 121.14 -0.552 . . . . 0.0 112.184 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.18 141.94 49.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.828 0.346 . . . . 0.0 111.468 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.415 ' HB2' ' CE1' ' B' ' 14' ' ' TYR . 0.6 OUTLIER -112.27 146.02 38.93 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.852 179.892 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -127.17 123.65 37.2 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.504 179.325 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 41.8 mtm -130.53 131.33 45.02 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.856 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.1 t -108.14 112.99 42.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.976 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 19.9 m -110.81 175.6 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.793 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 . . . . . 0 N--CA 1.463 0.191 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.012 -179.959 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.494 1.756 0 CA-C-O 120.747 0.308 . . . . 0.0 111.426 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.08 136.23 52.68 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.759 0.314 . . . . 0.0 110.862 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' VAL . . . . . 0.451 HG13 ' HB3' ' A' ' 38' ' ' ASN . 44.0 t -106.2 129.92 58.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.065 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.28 105.81 8.8 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.561 179.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 86.4 mt -98.4 160.74 14.08 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.85 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 21.9 t -124.44 101.68 9.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.06 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.541 ' HB2' ' CZ ' ' B' ' 14' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.463 0.186 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.072 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 . . . . . 0 CA--C 1.532 0.28 0 CA-C-O 120.887 0.375 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . 0.541 ' CZ ' ' HB2' ' B' ' 7' ' ' LYS . 65.1 m-85 -59.21 -36.67 75.8 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.198 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.42 49.61 71.68 Favored Glycine 0 C--N 1.338 0.645 0 C-N-CA 121.235 -0.507 . . . . 0.0 112.885 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 pp -128.28 132.41 48.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.822 0.344 . . . . 0.0 111.162 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.641 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -88.84 127.76 35.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.344 179.481 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.73 150.55 46.08 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.062 0.458 . . . . 0.0 111.469 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.41 ' HB2' ' CZ ' ' A' ' 23' ' ' PHE . . . -145.7 178.45 8.14 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.956 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 53.7 p -129.47 153.62 47.78 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.031 0.443 . . . . 0.0 111.708 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -123.48 -177.18 3.64 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.469 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 33.4 mm -128.33 140.63 48.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.107 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -149.43 179.21 8.13 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.052 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 19.3 t -108.62 117.51 54.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.101 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.408 ' HB3' ' CB ' ' A' ' 17' ' ' ARG . 5.7 tptt -60.48 -50.65 72.72 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.08 179.527 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -176.54 159.46 1.9 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.937 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 3.6 mp -115.71 138.13 47.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.96 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 31.0 m -75.38 146.04 41.15 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -69.01 147.91 50.89 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.07 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 t70 59.98 41.45 17.51 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.028 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 23.6 p -114.02 176.62 4.96 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 13.3 mt -58.46 -37.6 75.79 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . 0.4 ' HB2' ' CD1' ' B' ' 39' ' ' ILE . . . -69.23 -41.9 76.39 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.251 179.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.02 -38.78 76.85 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.091 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -78.7 -35.16 45.41 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.823 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -68.08 -43.52 78.35 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.303 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.29 38.37 53.66 Favored Glycine 0 C--N 1.334 0.45 0 C-N-CA 120.955 -0.641 . . . . 0.0 112.484 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -122.82 -45.91 2.13 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.505 0.193 . . . . 0.0 111.339 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . 0.4 ' CD1' ' HB2' ' B' ' 33' ' ' ALA . 19.0 mt -80.92 130.66 35.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.106 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -137.02 162.2 33.97 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.117 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -69.17 128.7 37.57 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.667 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 96.08 -20.44 50.05 Favored Glycine 0 CA--C 1.523 0.536 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.808 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -54.57 117.96 3.78 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.913 0.356 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.0 t -87.31 112.24 22.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.059 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 20.3 t -86.41 114.97 26.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.164 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.46 -39.72 17.2 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.157 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 11.4 mtmt -131.27 153.69 49.28 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.182 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 30.2 mt -142.25 123.43 12.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.533 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 58.84 33.24 22.93 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.358 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.12 30.59 58.78 Favored Glycine 0 C--N 1.336 0.566 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.514 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 6.4 m -142.55 137.38 30.1 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.55 0.214 . . . . 0.0 110.609 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 30.4 t -68.92 143.13 15.36 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.754 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.46 37.87 4.31 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.557 -179.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.28 141.93 35.94 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.629 -0.26 . . . . 0.0 110.416 179.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 69.48 6.02 5.47 Favored 'General case' 0 CA--C 1.537 0.442 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.228 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -95.21 161.38 14.13 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.966 0.412 . . . . 0.0 111.11 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 2.4 p -72.22 145.93 47.65 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.713 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 18.8 tp -55.92 -30.08 61.09 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.168 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.7 -38.86 92.69 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.738 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -59.99 -39.86 87.15 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.855 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.23 -39.36 82.48 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.546 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 15.1 mtmt -62.72 -36.62 83.59 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.291 179.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.84 -37.87 85.3 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.993 179.459 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 2.3 mt -55.13 -35.05 64.27 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.81 0.338 . . . . 0.0 110.761 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 24.5 mt -75.9 -32.23 23.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.875 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -76.07 -48.3 21.32 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.223 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -57.38 -24.55 56.07 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.477 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 11.7 t -50.8 110.94 0.47 Allowed 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.276 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.41 61.06 4.72 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.112 0.482 . . . . 0.0 110.502 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 104.4 -79.54 0.3 Allowed Glycine 0 C--N 1.335 0.505 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.679 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -84.82 133.05 34.34 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.764 0.316 . . . . 0.0 111.456 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . 0.432 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 0.4 OUTLIER -108.08 141.91 39.06 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.673 179.514 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.93 123.18 40.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.583 179.373 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 4.7 mtp -129.1 125.46 37.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.685 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 15.5 t -98.2 122.21 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.456 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 14.3 t -100.25 159.29 3.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.555 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 . . . . . 0 C--O 1.233 0.225 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.794 -179.704 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.53 0.208 0 CA-C-O 120.758 0.313 . . . . 0.0 111.086 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.6 t -115.4 128.35 72.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.99 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.3 m -128.82 113.98 15.97 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 120.766 0.317 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.439 HD21 HD11 ' B' ' 39' ' ' ILE . 2.7 mm? -110.89 158.36 18.82 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.97 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 20.8 t -135.3 101.06 2.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.993 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.492 ' HG3' ' HA2' ' B' ' 70' ' ' GLY . 2.2 ptpt . . . . . 0 CA--C 1.531 0.244 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.081 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.863 0.363 . . . . 0.0 111.304 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.43 ' CZ ' ' HB2' ' B' ' 72' ' ' LEU . 14.5 m-85 -66.96 -30.08 70.11 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.93 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.84 47.41 89.01 Favored Glycine 0 C--N 1.335 0.501 0 C-N-CA 121.297 -0.478 . . . . 0.0 113.125 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.431 HD21 ' HE3' ' B' ' 74' ' ' MET . 1.9 pp -116.56 120.57 39.14 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.925 0.393 . . . . 0.0 111.058 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.502 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -72.79 122.42 21.52 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.827 -179.899 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.14 140.05 36.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.449 -179.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -146.37 172.17 13.91 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.154 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 90.5 p -139.3 152.7 47.44 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.991 0.424 . . . . 0.0 111.944 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.447 ' HD2' ' CE1' ' B' ' 23' ' ' PHE . 0.2 OUTLIER -123.75 -179.29 4.32 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.751 179.9 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 27.3 mm -131.63 142.54 42.9 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.098 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.467 ' CE1' ' HD2' ' B' ' 21' ' ' HIS . 11.6 p90 -149.02 179.44 7.88 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.18 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 25.6 t -103.02 112.84 37.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.027 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.541 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 9.8 tptt -58.35 -41.93 85.77 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.096 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -176.49 171.62 2.33 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.792 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 mp -126.58 141.51 45.79 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-O 120.786 0.327 . . . . 0.0 111.036 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.3 t -83.48 147.6 27.73 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.109 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.64 147.0 44.16 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.596 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.8 t0 58.85 49.35 9.98 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.585 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.92 169.27 14.15 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.959 -179.63 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.441 ' HB2' ' HA ' ' B' ' 14' ' ' TYR . 26.8 mt -55.39 -43.25 75.02 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.173 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.443 ' HA ' HD13 ' B' ' 5' ' ' LEU . . . -61.01 -48.1 83.38 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.132 179.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.97 -36.99 86.19 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.14 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -37.5 68.12 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.036 179.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.26 -33.76 65.44 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.537 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.1 41.0 61.21 Favored Glycine 0 C--N 1.333 0.407 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.723 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -122.55 -47.2 2.11 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.505 0.193 . . . . 0.0 111.166 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.437 HG23 HD12 ' A' ' 39' ' ' ILE . 30.9 mm -77.05 118.78 24.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.01 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.6 tp60 -117.37 154.31 31.53 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.646 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.18 109.13 0.7 Allowed 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.649 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.92 5.67 50.17 Favored Glycine 0 CA--C 1.525 0.675 0 C-N-CA 120.843 -0.694 . . . . 0.0 113.125 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.8 105.47 0.38 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.943 0.371 . . . . 0.0 110.838 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.2 t -74.7 105.4 3.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.679 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.0 t -86.42 128.12 39.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.448 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.8 tt -98.77 -38.76 8.94 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.116 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -134.55 152.81 52.04 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.852 0.358 . . . . 0.0 111.561 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 32.1 mt -139.37 115.34 9.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.679 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 49.3 m-20 55.56 39.06 30.96 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.243 -179.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.68 25.86 64.17 Favored Glycine 0 CA--C 1.523 0.589 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.911 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -131.6 127.97 38.2 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.776 0.288 . . . . 0.0 110.437 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 13.8 t -63.74 141.3 18.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.939 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.0 40.35 3.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.101 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -112.95 140.88 47.38 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.68 0.276 . . . . 0.0 110.28 179.284 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.408 ' HB3' HD21 ' B' ' 58' ' ' LEU . 11.9 m-20 63.52 13.05 6.9 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.896 -179.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.9 tpp -97.61 164.14 12.55 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.788 0.327 . . . . 0.0 110.989 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.1 m -73.27 142.2 47.21 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.865 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.457 HD22 ' HB2' ' B' ' 55' ' ' ASN . 12.5 tp -54.28 -33.81 59.48 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.151 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.28 -37.13 84.71 Favored 'General case' 0 CA--C 1.527 0.077 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.882 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -55.11 -41.94 72.3 Favored 'General case' 0 C--O 1.232 0.184 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.0 -38.23 90.37 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.37 178.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.475 ' HG3' ' N ' ' A' ' 63' ' ' THR . 0.0 OUTLIER -63.61 -33.03 74.71 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.505 179.217 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.475 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 0.3 OUTLIER -71.01 -40.07 72.01 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.967 179.774 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.7 mt -54.25 -38.0 65.31 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.926 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 34.0 mt -70.62 -31.79 47.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.063 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -76.37 -50.67 13.6 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.002 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -67.01 -18.24 65.28 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.0 t -52.73 113.77 1.19 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.726 0.298 . . . . 0.0 111.28 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -88.64 83.16 6.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.598 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.42 ' O ' ' HB3' ' B' ' 7' ' ' LYS . . . 91.64 -120.95 6.18 Favored Glycine 0 C--N 1.334 0.428 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.788 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.39 145.5 53.83 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 120.722 0.296 . . . . 0.0 111.545 -179.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.14 132.24 54.37 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.218 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.44 130.74 55.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.559 179.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 10.1 mtp -139.61 129.68 25.07 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.773 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.5 t -99.22 111.27 28.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.963 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 30.8 m -113.85 172.56 3.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.195 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.167 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.77 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 19.7 p . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -128.55 137.28 51.66 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.695 0.283 . . . . 0.0 111.025 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' VAL . . . . . 0.401 HG12 ' CD2' ' B' ' 5' ' ' LEU . 33.2 t -115.14 123.33 70.67 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.131 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 7.1 m -128.58 106.58 9.06 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 120.837 0.351 . . . . 0.0 111.155 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 33' ' ' ALA . 3.8 mm? -98.36 160.47 14.26 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.773 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 18.4 t -125.72 99.42 5.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-O 120.83 0.348 . . . . 0.0 111.171 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.42 ' HB3' ' O ' ' A' ' 70' ' ' GLY . 17.5 ttmt . . . . . 0 N--CA 1.464 0.23 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.841 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 . . . . . 0 CA--C 1.53 0.178 0 CA-C-O 120.763 0.315 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . 0.441 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 72.5 m-85 -74.3 -38.85 63.24 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.555 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.62 27.56 72.31 Favored Glycine 0 CA--C 1.522 0.483 0 C-N-CA 120.935 -0.65 . . . . 0.0 113.142 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 pp -110.2 120.5 42.64 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.956 0.378 . . . . 0.0 110.601 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.541 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 16.1 ttt-85 -77.82 123.32 26.58 Favored 'General case' 0 N--CA 1.461 0.102 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.079 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.7 143.31 27.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.363 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.403 ' HB1' ' HB2' ' A' ' 25' ' ' LYS . . . -148.24 175.05 11.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.818 179.465 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 87.5 p -142.71 153.95 43.84 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.057 0.456 . . . . 0.0 111.902 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' HIS . . . . . 0.467 ' HD2' ' CE1' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -125.5 176.27 6.95 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.646 179.891 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 44.7 mm -129.08 139.17 52.56 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.071 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.447 ' CE1' ' HD2' ' A' ' 21' ' ' HIS . 10.2 p90 -144.61 178.42 7.98 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 120.895 0.379 . . . . 0.0 111.327 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 17.6 t -105.66 112.78 40.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.021 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.502 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 18.4 tptp -59.67 -39.4 84.35 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.17 179.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -177.8 173.93 1.52 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.929 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 3.4 mp -129.71 137.76 55.9 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.882 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 6.2 t -73.22 149.36 42.91 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.244 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 6.0 pm0 -74.87 148.91 39.77 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.049 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 58.07 31.03 20.16 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.393 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 12.0 p -101.46 177.67 4.86 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 120.749 0.309 . . . . 0.0 111.013 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.419 HD12 ' CD1' ' A' ' 14' ' ' TYR . 48.8 mt -59.49 -37.51 78.46 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.621 179.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.57 -35.97 75.87 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.992 179.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.32 -47.53 85.06 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.05 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 3.2 mmt180 -70.35 -36.43 74.19 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.586 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -67.89 -38.8 83.47 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.169 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.72 36.3 93.1 Favored Glycine 0 C--N 1.335 0.5 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.897 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -113.63 -37.79 4.49 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . 0.439 HD11 HD21 ' A' ' 5' ' ' LEU . 3.1 mt -91.91 134.4 30.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-O 120.684 0.278 . . . . 0.0 111.392 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -129.93 148.2 51.77 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.16 121.82 11.63 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.803 0.335 . . . . 0.0 111.001 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.52 -20.08 37.9 Favored Glycine 0 CA--C 1.522 0.503 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.779 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -55.66 135.69 51.08 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.767 0.318 . . . . 0.0 111.162 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 20.4 t -96.63 123.12 48.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.138 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 21.3 t -90.48 140.21 16.31 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.243 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.1 mp -109.67 -40.09 4.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -139.01 149.03 44.2 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.786 0.327 . . . . 0.0 111.285 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 29.3 mt -137.33 122.48 25.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.467 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 58.33 35.06 24.58 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.177 -179.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.95 28.96 59.71 Favored Glycine 0 C--N 1.335 0.504 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.774 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -141.15 130.77 24.04 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.667 0.233 . . . . 0.0 110.609 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 15.8 t -67.61 140.41 19.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.629 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.44 26.76 9.37 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.426 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.03 151.16 22.96 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 120.739 0.304 . . . . 0.0 110.43 179.204 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . 0.457 ' HB2' HD22 ' A' ' 58' ' ' LEU . 7.0 p30 51.84 16.18 0.47 Allowed 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.557 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 1.6 ttm -99.03 162.11 13.25 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.778 0.323 . . . . 0.0 110.724 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 30.9 t -71.94 145.83 48.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.632 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.408 HD21 ' HB3' ' A' ' 55' ' ' ASN . 46.9 tp -56.93 -31.95 65.47 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.907 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.1 -38.47 89.02 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.584 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -58.44 -44.74 89.29 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.706 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.16 -38.73 71.28 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.727 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -65.09 -41.33 95.07 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.541 179.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.13 -41.55 96.93 Favored 'General case' 0 C--N 1.334 -0.085 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.17 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.89 -39.75 66.03 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.747 0.308 . . . . 0.0 110.652 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 36.7 mt -76.58 -32.37 21.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -73.97 -38.53 64.15 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.798 0.332 . . . . 0.0 110.711 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.87 -21.11 60.21 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.757 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 43.5 p -55.96 116.23 2.86 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.088 0.471 . . . . 0.0 111.201 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -46.73 78.13 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.622 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . 0.492 ' HA2' ' HG3' ' A' ' 7' ' ' LYS . . . -160.23 -60.06 0.01 OUTLIER Glycine 0 C--N 1.333 0.367 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.602 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -87.22 114.22 23.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.806 0.336 . . . . 0.0 110.925 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . 0.43 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -101.39 143.0 31.95 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.017 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -125.75 122.57 36.63 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.639 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.431 ' HE3' HD21 ' A' ' 16' ' ' LEU . 2.2 mtp -127.1 132.84 50.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.899 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 21.7 t -107.0 116.27 50.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.996 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 24.8 t -105.23 149.13 8.89 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.061 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.233 0.217 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.847 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.8 tttt . . . . . 0 C--O 1.234 0.285 0 CA-C-O 120.801 0.334 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.408 HG11 HD12 ' B' ' 39' ' ' ILE . 27.2 t -116.44 125.64 73.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -129.16 105.42 8.16 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.647 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 60.6 mt -103.33 157.01 17.32 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.05 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 20.7 t -129.04 104.18 10.71 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.397 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.5 ttmt . . . . . 0 C--O 1.232 0.168 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.64 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.715 0.293 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.467 ' CE1' ' HB2' ' B' ' 72' ' ' LEU . 27.4 m-85 -58.81 -41.81 87.7 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.057 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.54 51.37 43.83 Favored Glycine 0 C--N 1.337 0.589 0 C-N-CA 121.271 -0.49 . . . . 0.0 112.677 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 pp -121.39 121.61 37.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.924 0.392 . . . . 0.0 111.293 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.47 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -77.98 124.2 27.73 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.263 179.476 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.72 160.52 21.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.984 0.421 . . . . 0.0 111.452 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.44 ' HB3' ' CZ ' ' B' ' 23' ' ' PHE . . . -155.15 179.33 9.25 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.941 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.8 p -129.95 151.95 49.95 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.86 0.362 . . . . 0.0 111.511 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -123.69 177.33 5.75 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.963 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 31.0 mm -134.27 145.14 33.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 120.961 0.41 . . . . 0.0 111.199 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.418 ' CZ ' ' CB ' ' B' ' 19' ' ' ALA . 17.6 p90 -148.01 174.92 11.43 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.91 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.429 HG22 ' HB2' ' A' ' 43' ' ' ASP . 37.6 t -95.26 122.87 47.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.949 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.564 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 42.9 tptt -73.41 -46.3 49.5 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.216 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -173.75 175.96 2.79 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.786 0.327 . . . . 0.0 111.078 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.7 mm -121.18 144.68 29.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.9 t -90.7 139.89 30.3 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.943 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -73.88 146.52 44.0 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.612 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 57.96 48.42 13.37 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.016 0.436 . . . . 0.0 110.713 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.2 m -133.64 175.28 9.58 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.207 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.7 mt -58.44 -38.45 77.49 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.239 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.96 -47.69 76.7 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.222 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.0 76.86 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.222 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.36 -42.91 58.56 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.133 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.89 -37.51 81.84 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.689 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.56 32.46 74.95 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.674 -179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -114.0 -41.63 3.51 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.554 0.216 . . . . 0.0 111.239 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.435 ' CD1' HD23 ' B' ' 5' ' ' LEU . 15.8 mt -81.57 123.52 37.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.917 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -138.12 149.84 46.29 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.859 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -58.89 131.59 51.44 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.733 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.55 -23.02 36.5 Favored Glycine 0 CA--C 1.521 0.433 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.896 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.429 ' HB2' HG22 ' A' ' 24' ' ' VAL . 3.1 m-20 -56.03 117.02 3.33 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.811 0.305 . . . . 0.0 110.937 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.2 t -81.85 102.2 7.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.96 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.3 t -82.35 131.52 33.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.543 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.2 tt -110.62 -40.09 4.7 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.172 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 43.5 mttt -127.54 145.77 50.74 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.744 0.306 . . . . 0.0 111.653 -179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.9 mt -132.1 123.15 50.28 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.745 179.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 19.0 p30 43.81 35.93 1.2 Allowed 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.054 0.542 . . . . 0.0 111.912 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 85.03 38.5 9.19 Favored Glycine 0 C--N 1.335 0.498 0 C-N-CA 120.871 -0.68 . . . . 0.0 113.005 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.6 123.65 8.15 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.872 0.336 . . . . 0.0 110.546 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.7 t -66.97 140.89 18.67 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.625 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -117.03 26.67 9.63 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.214 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.8 149.97 21.32 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.787 0.327 . . . . 0.0 110.546 179.234 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.47 ' HB2' HD21 ' B' ' 58' ' ' LEU . 1.5 p-10 50.42 19.61 0.57 Allowed 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.449 -0.796 . . . . 0.0 112.272 -179.289 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.6 tpp -102.86 165.88 10.79 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.85 0.357 . . . . 0.0 110.692 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 57.8 p -73.27 138.28 45.41 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.595 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 25.2 tp -55.89 -36.17 67.33 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.588 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.88 -43.4 94.78 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.73 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.1 -41.77 84.25 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.545 179.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.74 -38.4 75.28 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.359 179.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -65.86 -37.92 87.45 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.25 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.64 -41.03 84.52 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.865 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.5 mt -54.4 -37.74 65.39 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.742 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 22.1 mt -75.78 -30.72 21.64 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.962 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -72.03 -55.8 6.76 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 120.758 0.313 . . . . 0.0 110.955 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -61.28 -25.37 67.05 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.582 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.81 113.46 1.33 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.806 0.336 . . . . 0.0 111.186 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.17 121.3 44.95 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.02 -138.63 14.42 Favored Glycine 0 C--N 1.333 0.387 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.872 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -70.06 129.35 39.21 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 120.659 0.266 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -105.99 147.91 28.3 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.213 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -127.09 135.19 50.41 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.705 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 7.8 mtm -139.45 118.27 12.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.693 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.7 t -98.14 119.26 45.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.958 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 30.2 m -115.08 164.84 11.1 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.71 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.233 0.226 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.094 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 19.7 m . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 120.727 0.299 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 25.8 mttp -105.56 124.37 49.45 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.043 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 26.6 t -104.03 126.34 58.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.962 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.93 108.1 10.15 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 120.715 0.293 . . . . 0.0 111.341 -179.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.435 HD23 ' CD1' ' A' ' 39' ' ' ILE . 2.7 mm? -101.17 157.72 16.56 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.027 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 6.6 t -120.11 103.2 13.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 CA-C-O 120.715 0.293 . . . . 0.0 111.575 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.48 ' HB2' ' CZ ' ' B' ' 14' ' ' TYR . 2.4 ttmt . . . . . 0 N--CA 1.465 0.322 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.0 179.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 . . . . . 0 CA--C 1.532 0.263 0 CA-C-O 120.564 0.221 . . . . 0.0 110.742 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . 0.48 ' CZ ' ' HB2' ' B' ' 7' ' ' LYS . 13.9 m-85 -53.71 -46.1 70.64 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.975 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.55 47.93 88.48 Favored Glycine 0 C--N 1.335 0.493 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.937 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 3.6 pp -128.5 124.5 36.23 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.806 0.336 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.564 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -96.04 129.76 43.23 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.682 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -126.76 146.76 50.11 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.959 0.409 . . . . 0.0 111.46 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.418 ' CB ' ' CZ ' ' A' ' 23' ' ' PHE . . . -133.91 -178.71 5.15 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.8 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 93.1 p -134.05 152.74 51.97 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.017 0.437 . . . . 0.0 111.909 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -128.05 179.98 5.29 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.849 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 34.6 mm -130.24 144.33 38.32 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.139 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.44 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 6.8 p90 -149.09 174.09 12.7 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.988 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 32.7 t -101.32 119.23 49.23 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.08 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.47 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 21.1 tptm -69.13 -37.5 78.35 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.371 179.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -175.72 174.23 2.24 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.732 0.301 . . . . 0.0 111.128 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 3.5 mp -138.24 134.05 43.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.726 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 6.9 t -74.22 155.23 38.54 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.302 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.77 152.06 24.87 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.924 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 57.82 31.43 20.5 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.046 -179.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.67 175.88 5.34 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.925 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 47.7 mt -57.96 -38.52 76.16 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.77 -40.04 88.08 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.073 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.1 -40.53 89.97 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.07 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -73.76 -40.87 63.16 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.888 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.07 -34.58 77.97 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.478 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.39 29.8 75.65 Favored Glycine 0 C--N 1.335 0.475 0 C-N-CA 120.94 -0.647 . . . . 0.0 112.756 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -108.71 -32.28 7.4 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 111.533 0.198 . . . . 0.0 111.533 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . 0.408 HD12 HG11 ' A' ' 3' ' ' VAL . 3.3 mp -96.74 105.92 17.75 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-O 120.711 0.291 . . . . 0.0 111.083 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.37 153.96 20.95 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.676 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -58.17 113.46 1.93 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.919 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.37 5.74 45.56 Favored Glycine 0 CA--C 1.525 0.668 0 C-N-CA 120.964 -0.636 . . . . 0.0 113.036 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -61.54 149.43 39.03 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.965 0.382 . . . . 0.0 110.875 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.2 t -110.74 101.7 12.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-O 120.761 0.315 . . . . 0.0 111.137 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 21.6 t -79.13 133.67 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.148 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -113.65 -41.9 3.53 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.399 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 8.1 mttm -133.22 152.07 51.94 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.624 0.249 . . . . 0.0 111.635 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 19.8 mt -134.9 119.75 28.58 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.945 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 16.4 p30 42.1 44.96 3.31 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.195 0.598 . . . . 0.0 111.652 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.44 38.33 33.53 Favored Glycine 0 C--N 1.335 0.499 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.823 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.59 116.26 7.18 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.878 0.339 . . . . 0.0 110.52 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 12.1 t -61.72 140.67 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.639 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.27 22.27 13.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.552 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.32 144.57 25.26 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-O 120.81 0.338 . . . . 0.0 110.333 179.12 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 5.4 m120 62.49 14.93 7.41 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.993 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 2.4 tpp -100.64 164.75 11.74 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.84 0.352 . . . . 0.0 111.051 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.45 146.03 34.71 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.736 179.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.47 HD21 ' HB2' ' A' ' 55' ' ' ASN . 17.0 tp -55.8 -31.83 62.99 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.934 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.92 -41.0 97.43 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.743 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -57.08 -43.9 82.62 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.676 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.76 -36.56 69.95 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.735 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -68.61 -35.28 77.11 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.608 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -70.38 -41.13 73.45 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.076 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.7 -39.6 68.33 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.759 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 40.2 mt -72.35 -31.14 37.53 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.83 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -75.48 -46.89 29.68 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.682 0.277 . . . . 0.0 110.896 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 -59.55 -23.28 62.75 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.689 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 9.3 t -55.46 107.57 0.34 Allowed 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 120.794 0.331 . . . . 0.0 110.929 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -62.46 -38.19 88.86 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.283 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -160.48 -63.58 0.01 OUTLIER Glycine 0 C--N 1.333 0.389 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.472 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -86.6 123.67 32.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.705 0.288 . . . . 0.0 111.253 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . 0.467 ' HB2' ' CE1' ' A' ' 14' ' ' TYR . 0.4 OUTLIER -107.95 120.84 43.43 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.794 179.765 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -106.51 131.03 54.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.656 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -143.23 138.62 29.78 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.8 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 21.6 t -107.04 111.22 34.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.725 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 16.0 m -110.79 149.51 13.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.39 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.179 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.791 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.7 mtmm . . . . . 0 C--O 1.234 0.241 0 CA-C-O 120.622 0.249 . . . . 0.0 110.597 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 32.8 t -113.65 126.46 71.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.949 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.92 112.73 14.4 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.962 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' B' ' 33' ' ' ALA . 70.8 mt -109.64 156.79 19.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.96 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.6 t -125.52 101.16 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.151 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.127 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.464 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 4.7 ttmm . . . . . 0 N--CA 1.464 0.237 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.26 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 . . . . . 0 C--O 1.233 0.212 0 CA-C-O 120.799 0.333 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.464 ' CZ ' ' HB2' ' A' ' 7' ' ' LYS . 88.4 m-85 -66.91 -34.34 77.57 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.427 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.29 41.23 92.88 Favored Glycine 0 C--N 1.334 0.469 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.642 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 pp -116.92 136.29 53.06 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.862 0.363 . . . . 0.0 110.702 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.525 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -90.91 116.45 28.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.098 -179.634 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.89 137.71 42.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.232 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -139.72 169.0 18.53 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 91.8 p -125.34 150.38 47.23 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.854 0.359 . . . . 0.0 111.387 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.426 ' HD2' ' CE1' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -115.55 176.04 5.25 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.629 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.2 mp -132.51 132.69 60.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.805 0.336 . . . . 0.0 111.004 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.423 ' CZ ' ' CB ' ' B' ' 19' ' ' ALA . 13.3 p90 -139.7 179.04 6.81 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.065 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.9 t -103.1 115.0 44.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-O 120.788 0.327 . . . . 0.0 111.305 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.557 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 27.2 tptt -66.11 -39.76 90.21 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.139 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -178.01 172.72 1.59 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.216 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.5 mp -130.45 137.91 55.08 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.916 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.93 152.36 22.49 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.459 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -79.57 158.08 27.22 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.973 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 61.16 29.57 18.88 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.228 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m -116.04 173.72 6.42 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.844 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.9 mt -57.58 -43.56 84.66 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.74 -38.23 81.16 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.292 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.87 -42.45 94.82 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.688 0.28 . . . . 0.0 110.989 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.71 -37.59 73.57 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.792 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.85 -41.56 71.3 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.37 35.47 91.47 Favored Glycine 0 CA--C 1.52 0.362 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.496 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.461 ' HB3' HG13 ' B' ' 3' ' ' VAL . 2.6 m-80 -110.3 -36.88 5.68 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 -179.668 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 25.1 mt -84.55 136.38 22.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.201 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -129.88 153.92 47.82 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.19 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.81 118.55 9.82 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.45 -19.14 43.17 Favored Glycine 0 CA--C 1.521 0.466 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.799 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -55.32 137.01 48.64 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.787 0.327 . . . . 0.0 111.109 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.4 t -98.29 122.09 49.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.0 t -96.63 134.88 32.61 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.499 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.1 tp -98.9 -40.66 7.98 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.24 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -134.43 153.4 51.93 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.937 0.399 . . . . 0.0 111.609 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.46 HG22 HD13 ' A' ' 48' ' ' ILE . 29.8 mt -141.62 118.11 7.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.448 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 58.73 39.45 24.28 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.95 25.32 71.82 Favored Glycine 0 CA--C 1.523 0.557 0 C-N-CA 120.981 -0.628 . . . . 0.0 113.27 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.61 129.2 21.46 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.998 0.399 . . . . 0.0 110.677 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.8 t -71.09 137.54 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.616 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.51 32.3 4.95 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.2 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.57 148.92 22.38 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 120.725 0.298 . . . . 0.0 110.202 179.109 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.6 p30 51.73 18.67 0.78 Allowed 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.198 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.4 ttm -102.07 153.31 20.04 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.753 0.311 . . . . 0.0 110.715 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.1 t -61.07 146.07 48.62 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.679 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 33.9 tp -54.7 -33.53 61.09 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.631 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.95 -39.56 83.41 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.554 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.39 -45.94 69.48 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.954 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.91 -40.89 77.15 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.939 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.1 mtpt -64.84 -40.12 94.65 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.557 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.81 -39.85 93.18 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.942 179.529 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.9 mt -55.63 -34.76 65.2 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.828 0.347 . . . . 0.0 110.338 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 21.9 mm -67.92 -34.32 66.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.74 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.26 -40.35 52.08 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.855 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.06 -28.85 66.84 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.547 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.2 t -60.08 103.62 0.24 Allowed 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.931 0.396 . . . . 0.0 111.057 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -31.31 71.23 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.423 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -148.8 -95.98 0.16 Allowed Glycine 0 C--N 1.335 0.503 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.774 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.88 148.67 45.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.901 0.382 . . . . 0.0 111.177 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.05 126.58 43.32 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.831 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.2 mtmt -108.07 106.84 17.24 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.177 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -113.04 122.74 48.52 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 37.6 t -98.47 133.29 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.865 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 7.6 m -119.04 166.4 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-O 120.867 0.365 . . . . 0.0 111.665 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 . . . . . 0 CA--C 1.532 0.253 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.992 179.792 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 120.91 0.386 . . . . 0.0 111.487 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -125.2 135.1 52.26 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.643 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' VAL . . . . . 0.461 HG13 ' HB3' ' A' ' 38' ' ' ASN . 25.7 t -118.54 127.13 75.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.765 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -128.13 108.29 10.52 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.878 0.37 . . . . 0.0 111.366 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -100.79 160.47 14.33 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.861 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 20.5 t -127.7 99.12 4.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.155 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.468 ' HB2' ' CZ ' ' B' ' 14' ' ' TYR . 11.4 ttmt . . . . . 0 N--CA 1.464 0.235 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.038 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.913 0.387 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . 0.468 ' CZ ' ' HB2' ' B' ' 7' ' ' LYS . 32.8 m-85 -71.83 -30.97 66.04 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.522 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.56 32.32 64.68 Favored Glycine 0 C--N 1.335 0.476 0 C-N-CA 121.075 -0.583 . . . . 0.0 112.953 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 pp -108.77 134.3 51.67 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.764 0.316 . . . . 0.0 110.747 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.557 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 3.6 mmt180 -92.19 118.87 31.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.743 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.05 126.41 48.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.423 ' CB ' ' CZ ' ' A' ' 23' ' ' PHE . . . -121.54 173.48 7.38 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.991 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 75.1 p -127.89 146.5 50.61 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.148 0.499 . . . . 0.0 111.895 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -116.44 -178.03 3.32 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.899 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . 0.475 HG13 ' HB ' ' B' ' 53' ' ' THR . 26.2 mm -132.23 137.43 54.58 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.206 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.426 ' CE1' ' HD2' ' A' ' 21' ' ' HIS . 11.0 p90 -149.64 179.76 7.74 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.196 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t -107.1 121.13 59.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.12 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.525 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 17.4 tptt -74.27 -39.5 62.93 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.252 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -174.08 177.37 2.35 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.909 0.385 . . . . 0.0 111.25 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 3.0 mp -131.74 137.52 54.89 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.969 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 25.3 t -78.79 158.53 28.2 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.24 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -85.19 151.61 23.97 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.902 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 58.4 34.91 24.4 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.216 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 24.3 p -114.65 174.04 6.16 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.091 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.443 HD12 ' CD1' ' A' ' 14' ' ' TYR . 4.5 mt -60.7 -42.15 96.61 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.08 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . 0.402 ' HA ' HD22 ' A' ' 5' ' ' LEU . . . -61.02 -45.74 93.58 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.242 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.85 80.13 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.197 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 9.1 mtm180 -78.08 -39.46 41.47 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.03 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.54 -34.59 76.13 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.323 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.59 33.74 88.05 Favored Glycine 0 C--N 1.335 0.49 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.95 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -110.3 -32.27 7.02 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.706 0.253 . . . . 0.0 111.552 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 22.9 mt -92.97 137.7 21.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-O 120.733 0.301 . . . . 0.0 111.112 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -134.65 143.58 47.36 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.47 123.31 16.39 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.803 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.81 -21.35 36.55 Favored Glycine 0 CA--C 1.522 0.499 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.873 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.41 137.34 48.31 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.761 0.315 . . . . 0.0 111.303 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.2 t -95.53 123.25 47.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 22.0 t -99.15 128.81 50.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.231 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.15 -34.28 10.11 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.152 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 6.7 mttm -134.64 153.06 52.15 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.787 0.327 . . . . 0.0 111.477 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 21.0 mt -139.83 118.83 12.18 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.513 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 57.13 36.03 27.03 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.471 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.92 31.49 53.17 Favored Glycine 0 C--N 1.335 0.501 0 C-N-CA 120.916 -0.659 . . . . 0.0 113.121 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.69 123.75 8.78 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.777 0.288 . . . . 0.0 110.52 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 17.1 t -66.29 132.02 31.88 Favored 'Isoleucine or valine' 0 C--O 1.231 0.106 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.473 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' THR . . . . . 0.475 ' HB ' HG13 ' B' ' 22' ' ' ILE . 1.0 OUTLIER -106.56 25.42 11.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.452 -179.883 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -80.04 144.15 33.44 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 5.2 m120 62.16 15.15 7.2 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.875 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 1.3 ttm -103.16 160.28 14.79 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.785 0.326 . . . . 0.0 110.881 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.1 m -69.95 146.06 51.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.772 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 35.0 tp -54.88 -32.57 61.03 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.026 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 1.2 m -63.73 -37.97 89.35 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.675 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.21 -48.36 73.97 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.976 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.63 -41.61 77.43 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.62 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 23.1 mttt -62.53 -40.54 97.1 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.486 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.33 -41.89 90.17 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.618 179.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.2 -38.04 56.71 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.698 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 22.5 mt -74.2 -31.18 28.58 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.705 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -75.76 -42.29 50.81 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.03 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.21 -7.18 59.65 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 94.0 p -55.18 115.94 2.52 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.979 0.419 . . . . 0.0 111.056 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 4.3 mmtm -78.6 74.84 5.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.307 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 82.74 -85.78 1.49 Allowed Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.882 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.36 144.23 32.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.852 0.358 . . . . 0.0 111.333 -179.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . 0.401 HD11 ' CZ ' ' A' ' 14' ' ' TYR . 0.4 OUTLIER -122.79 140.42 52.93 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.903 -179.905 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 9.8 mttp -120.99 131.74 54.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.731 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 2.0 ttm -135.86 124.25 23.38 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.673 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 21.6 t -101.25 118.17 47.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.031 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 14.9 m -111.58 177.12 1.52 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.225 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 . . . . . 0 C--O 1.232 0.167 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 179.661 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.1 mptt . . . . . 0 C--O 1.233 0.193 0 CA-C-O 120.667 0.27 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 38.3 t -112.95 131.09 65.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.734 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.5 m -129.1 112.1 13.63 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-O 120.72 0.295 . . . . 0.0 111.125 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 46.4 mt -107.04 160.2 15.73 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.095 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.67 100.91 5.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.894 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.549 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 7.5 ttmt . . . . . 0 C--O 1.233 0.229 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.065 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.201 0 CA-C-O 120.914 0.388 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.549 ' CZ ' ' HB2' ' A' ' 7' ' ' LYS . 62.4 m-85 -60.88 -39.73 90.35 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.308 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.74 -25.87 12.35 Favored Glycine 0 C--N 1.335 0.507 0 C-N-CA 120.905 -0.664 . . . . 0.0 113.067 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.5 pp -69.06 115.62 8.56 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.976 0.417 . . . . 0.0 111.021 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.495 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.1 OUTLIER -88.18 129.08 35.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.953 179.497 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.56 156.09 33.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.074 0.464 . . . . 0.0 111.623 -179.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.423 ' HB3' ' CZ ' ' B' ' 23' ' ' PHE . . . -151.82 177.39 10.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.13 -179.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.421 ' OG ' ' HA ' ' A' ' 55' ' ' ASN . 93.7 p -131.39 149.6 52.48 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 120.839 0.352 . . . . 0.0 111.386 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.509 ' HD2' ' CE1' ' B' ' 23' ' ' PHE . 0.2 OUTLIER -120.23 -179.9 4.09 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.789 -179.886 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.406 ' CG2' HD13 ' B' ' 18' ' ' LEU . 28.9 mm -127.67 140.61 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.188 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.454 ' CE1' ' HD2' ' B' ' 21' ' ' HIS . 8.1 p90 -146.91 172.86 13.03 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.258 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -101.14 108.55 23.61 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.86 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.538 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 9.4 tptm -59.79 -38.09 80.93 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.152 179.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -177.29 178.78 1.04 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.869 0.366 . . . . 0.0 111.334 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.0 mp -133.01 149.27 31.58 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.051 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.0 m -93.41 155.98 17.04 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.215 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -79.3 150.55 31.47 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.335 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.2 t70 56.39 42.29 27.82 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.908 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 73.6 m -121.24 171.2 8.89 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.079 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.9 mt -62.05 -40.18 94.87 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.263 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.1 -44.08 96.68 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.021 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.63 -39.88 91.93 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.103 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.99 -48.28 58.8 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.968 179.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.27 -34.02 75.75 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.44 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.2 33.89 88.12 Favored Glycine 0 C--N 1.336 0.562 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.843 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -112.37 -38.47 4.67 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.609 0.242 . . . . 0.0 111.344 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.433 ' CD1' HD21 ' B' ' 5' ' ' LEU . 4.2 mp -93.09 105.41 16.77 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.805 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.28 150.05 28.54 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.773 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.65 127.61 32.53 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.831 0.348 . . . . 0.0 110.796 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.59 -23.58 31.0 Favored Glycine 0 CA--C 1.521 0.421 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.867 -179.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -56.58 146.23 25.79 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.787 0.327 . . . . 0.0 111.118 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.1 t -110.44 113.61 44.72 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.225 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.3 t -90.33 134.87 27.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.401 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.7 tt -106.03 -40.81 5.56 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.142 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.7 mttt -128.4 151.39 49.42 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.9 0.381 . . . . 0.0 111.874 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 39.7 mt -140.57 119.04 10.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.407 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.434 ' OD1' HD22 ' A' ' 72' ' ' LEU . 10.3 m-20 57.83 36.72 26.66 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.255 -179.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.32 25.65 65.47 Favored Glycine 0 CA--C 1.524 0.626 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.957 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.58 133.78 36.73 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.848 0.324 . . . . 0.0 110.524 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.2 t -70.69 135.95 27.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.71 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.46 23.88 12.38 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.254 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.37 150.28 23.93 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 120.752 0.311 . . . . 0.0 110.47 179.387 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.457 ' HB2' ' CD2' ' B' ' 58' ' ' LEU . 8.1 p30 51.11 17.6 0.48 Allowed 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.64 -179.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.7 tpp -99.9 168.37 9.92 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.811 0.339 . . . . 0.0 110.997 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.8 p -71.48 143.32 50.07 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.607 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 41.5 tp -57.71 -32.92 67.86 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.962 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.88 -36.79 75.75 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.954 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -53.63 -45.19 70.07 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.44 -40.59 82.97 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.701 179.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 63' ' ' THR . 0.0 OUTLIER -61.95 -36.89 82.76 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.889 179.378 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.429 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 0.2 OUTLIER -63.84 -40.89 97.67 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.981 179.476 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.8 -36.12 64.61 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.755 0.312 . . . . 0.0 110.366 179.263 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 17.4 mm -67.72 -33.05 59.43 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.946 179.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -76.76 -49.84 14.98 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.156 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -61.73 -25.05 67.2 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.314 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.412 ' OG ' ' HG ' ' A' ' 72' ' ' LEU . 3.5 m -51.66 111.34 0.58 Allowed 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.812 0.339 . . . . 0.0 111.191 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt -78.25 78.39 4.72 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.049 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 79.21 -73.52 2.34 Favored Glycine 0 C--N 1.334 0.454 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.675 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 24.5 tttt -79.65 134.54 36.44 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.855 0.359 . . . . 0.0 111.3 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.434 HD22 ' OD1' ' A' ' 49' ' ' ASN . 0.5 OUTLIER -117.09 135.4 53.77 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.811 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.3 mttp -117.65 132.33 56.51 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.612 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 8.1 mtm -145.41 133.87 21.94 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.971 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.3 t -107.71 125.44 64.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.779 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.5 t -100.16 140.35 19.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.266 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.234 0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.227 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 48.2 m . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 120.684 0.278 . . . . 0.0 111.401 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -123.99 139.82 53.57 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 21.5 t -126.99 123.76 63.17 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.911 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.01 105.68 8.36 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.846 179.6 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.433 HD21 ' CD1' ' A' ' 39' ' ' ILE . 73.0 mt -96.89 150.84 20.28 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.69 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 25.0 t -122.8 101.81 10.4 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.938 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.233 0.219 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.309 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.727 0.298 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . 0.429 ' CZ ' HD11 ' A' ' 72' ' ' LEU . 50.6 m-85 -60.09 -29.76 68.79 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.375 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.87 49.97 56.43 Favored Glycine 0 C--N 1.338 0.651 0 C-N-CA 121.306 -0.473 . . . . 0.0 112.835 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 pp -120.39 123.57 43.38 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.921 0.391 . . . . 0.0 111.199 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.538 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -80.75 107.88 13.94 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.539 179.839 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.406 HD13 ' CG2' ' A' ' 22' ' ' ILE . 0.2 OUTLIER -91.25 147.89 22.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.394 -179.627 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -154.48 171.25 19.69 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.096 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 84.8 p -135.84 153.96 51.33 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.967 0.413 . . . . 0.0 111.844 -179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' HIS . . . . . 0.454 ' HD2' ' CE1' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -127.85 178.4 6.19 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.989 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 21.5 mm -127.26 141.44 46.31 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.22 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.509 ' CE1' ' HD2' ' A' ' 21' ' ' HIS . 8.5 p90 -148.23 175.07 11.37 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 40.0 t -93.75 123.35 45.82 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.709 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.495 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 21.5 tptt -71.72 -43.1 66.46 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.536 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -178.73 176.29 0.98 Allowed 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.748 0.309 . . . . 0.0 111.16 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 4.1 mm -121.38 131.34 73.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.68 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 57.7 m -83.6 137.16 33.95 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.42 146.65 46.82 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.818 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 58.19 41.25 23.96 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.84 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.12 179.66 4.96 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.75 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.448 HD12 ' CD1' ' A' ' 14' ' ' TYR . 51.5 mt -60.33 -36.35 77.76 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.3 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.47 -39.24 91.75 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.244 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.71 -42.82 81.34 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.123 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 27.2 mtt-85 -66.3 -45.76 79.28 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.658 179.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.75 -40.49 84.09 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.144 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.22 37.31 94.68 Favored Glycine 0 C--N 1.335 0.527 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.69 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -113.72 -36.31 4.9 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 3.1 mp -87.17 134.58 27.28 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-O 120.71 0.29 . . . . 0.0 111.114 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -123.27 152.82 40.98 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.907 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.93 121.32 17.12 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.665 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.87 -16.76 50.47 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 120.876 -0.678 . . . . 0.0 113.124 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.9 134.03 42.92 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.923 0.361 . . . . 0.0 111.233 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 27.7 t -90.35 108.73 19.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.847 0.356 . . . . 0.0 110.931 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 24.4 t -88.29 127.13 41.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.227 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.5 -43.64 7.88 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.005 179.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.92 160.17 39.13 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 120.983 0.42 . . . . 0.0 111.966 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 3.7 mp -132.32 115.86 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.507 179.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 21.1 p30 44.74 34.51 1.19 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.176 0.59 . . . . 0.0 111.885 -179.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.46 40.74 5.31 Favored Glycine 0 C--N 1.335 0.48 0 C-N-CA 120.903 -0.665 . . . . 0.0 113.21 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -156.24 118.07 3.95 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.875 0.337 . . . . 0.0 110.583 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 23.6 t -77.23 137.95 21.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.546 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.47 33.65 5.0 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.582 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.19 139.56 30.38 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.858 0.361 . . . . 0.0 110.37 179.288 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 20.1 m-20 64.82 15.58 9.93 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.081 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -103.9 -178.14 3.57 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.8 0.333 . . . . 0.0 110.965 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.98 145.94 24.0 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.835 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.457 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 9.9 tp -56.23 -30.58 62.56 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.854 179.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.99 -40.69 90.01 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.823 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.04 -42.49 90.36 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.627 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.83 -39.5 77.78 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.428 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 18.7 mtmt -63.59 -36.62 84.42 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.392 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.96 -39.97 94.29 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.97 179.483 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 2.1 mt -56.18 -35.22 66.99 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.755 0.312 . . . . 0.0 110.712 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 17.6 mt -77.99 -29.27 15.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.968 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.57 -47.23 19.96 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.773 0.32 . . . . 0.0 111.002 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -62.12 -21.43 65.01 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.107 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 60.3 p -55.03 105.25 0.15 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 120.963 0.411 . . . . 0.0 110.914 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -33.88 72.42 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.544 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -164.28 -70.67 0.02 OUTLIER Glycine 0 C--N 1.334 0.449 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.354 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 ptpp? -83.62 140.28 32.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.807 0.337 . . . . 0.0 111.033 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -118.73 146.2 44.94 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.787 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 7.8 mtmt -126.95 135.57 51.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.657 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -139.24 126.88 21.84 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 22.0 t -109.16 111.06 34.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 36.0 m -105.1 164.37 4.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.307 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.213 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.8 ptmm? . . . . . 0 CA--C 1.53 0.21 0 CA-C-O 120.677 0.275 . . . . 0.0 111.395 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 32.0 t -114.6 131.33 67.04 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.0 m -129.05 123.61 32.73 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.71 0.29 . . . . 0.0 111.424 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.431 HD22 ' CD1' ' B' ' 39' ' ' ILE . 4.0 mm? -117.22 160.29 21.3 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.79 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.0 t -127.02 98.74 4.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.038 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.5 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 15.4 ttmt . . . . . 0 N--CA 1.465 0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.082 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.737 0.303 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.5 ' CZ ' ' HB2' ' A' ' 7' ' ' LYS . 83.7 m-85 -75.61 -24.43 56.52 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.553 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.39 30.33 41.4 Favored Glycine 0 C--N 1.336 0.54 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.786 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 pp -120.37 120.91 37.34 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.834 0.35 . . . . 0.0 110.778 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.417 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -73.41 122.6 22.34 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.773 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.426 HD12 HG23 ' B' ' 22' ' ' ILE . 0.9 OUTLIER -100.88 135.53 42.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.305 -179.603 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.413 ' HB2' ' HB2' ' B' ' 25' ' ' LYS . . . -134.84 170.95 15.09 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.662 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.4 p -134.58 150.55 50.73 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.961 0.41 . . . . 0.0 111.944 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.402 ' HD2' ' CE1' ' B' ' 23' ' ' PHE . 0.1 OUTLIER -117.99 177.61 4.72 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.87 179.85 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.469 HG13 ' HB ' ' A' ' 53' ' ' THR . 33.4 mm -133.47 137.4 53.07 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 120.687 0.28 . . . . 0.0 111.243 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.438 ' CE1' ' HD2' ' B' ' 21' ' ' HIS . 6.1 p90 -149.5 -179.06 6.79 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.315 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 25.3 t -107.54 114.94 47.59 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.911 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.5 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 15.7 tptm -65.36 -40.05 93.11 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.289 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -174.92 176.37 2.18 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.907 0.384 . . . . 0.0 111.089 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.9 mt -131.13 134.67 61.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.985 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.7 m -75.23 149.11 38.98 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.187 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -79.11 152.51 30.75 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.947 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 59.45 28.19 17.5 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.525 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.29 175.17 5.58 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.785 0.326 . . . . 0.0 110.908 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.401 HD11 ' CD1' ' B' ' 14' ' ' TYR . 25.9 mt -58.03 -35.62 71.57 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.319 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.31 -43.12 92.06 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.642 -0.253 . . . . 0.0 111.273 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.88 -39.74 90.36 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.173 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -74.49 -43.49 55.76 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.957 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -64.27 -36.65 84.8 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.387 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.78 45.87 93.27 Favored Glycine 0 C--N 1.335 0.519 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.803 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -125.53 -46.72 1.74 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.457 0.17 . . . . 0.0 111.279 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 30.5 mm -72.69 136.23 26.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-O 120.771 0.32 . . . . 0.0 111.152 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.43 141.44 45.43 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.565 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.07 127.98 33.94 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.992 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.29 -22.3 39.64 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.837 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.8 138.97 55.09 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.822 0.344 . . . . 0.0 111.138 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 22.6 t -94.04 119.51 42.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.236 -179.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.3 t -92.04 114.77 29.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.972 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.5 mp -83.48 -46.62 12.26 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.001 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -131.01 157.43 43.02 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.34 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 31.4 mt -139.02 121.51 17.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.593 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 58.34 32.08 21.64 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.245 -179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.57 34.74 27.6 Favored Glycine 0 C--N 1.337 0.609 0 C-N-CA 120.996 -0.621 . . . . 0.0 113.065 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.02 125.81 9.69 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.861 0.331 . . . . 0.0 110.744 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.3 t -67.44 137.75 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.645 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.469 ' HB ' HG13 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -119.79 33.08 5.76 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.473 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -93.32 142.77 26.95 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.779 0.323 . . . . 0.0 110.428 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 66.89 9.39 6.79 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.282 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.3 ttm -103.12 175.98 5.3 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.745 0.307 . . . . 0.0 110.601 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.0 p -75.2 139.34 42.57 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.301 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.402 ' CD2' ' HB2' ' B' ' 55' ' ' ASN . 62.2 tp -54.47 -33.87 60.47 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.915 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.87 -42.76 94.42 Favored 'General case' 0 C--O 1.227 -0.106 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.058 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.77 -48.83 66.54 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.651 0.263 . . . . 0.0 110.719 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.23 -39.22 82.07 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.29 178.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 63' ' ' THR . 0.0 OUTLIER -64.74 -37.4 87.49 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.384 178.896 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.421 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 0.2 OUTLIER -64.65 -40.76 96.01 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.891 179.542 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.1 mt -55.1 -34.95 64.11 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.753 0.311 . . . . 0.0 110.354 179.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 17.0 mm -68.23 -33.48 60.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.648 178.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -76.2 -40.83 51.33 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.802 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -57.9 -31.82 67.13 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.373 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.0 t -61.18 109.85 1.23 Allowed 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.745 0.307 . . . . 0.0 110.864 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -97.82 29.4 3.42 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.311 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 165.54 -90.38 0.1 Allowed Glycine 0 C--N 1.336 0.582 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.451 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.93 135.04 33.44 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.965 0.412 . . . . 0.0 111.545 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.426 ' HB2' ' CE1' ' B' ' 14' ' ' TYR . 0.4 OUTLIER -117.69 146.08 43.97 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.623 179.662 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.5 mttp -125.97 133.92 51.67 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.648 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -143.68 126.87 16.57 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.77 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 32.5 t -108.18 116.24 51.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.894 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 28.5 m -121.01 167.13 14.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.777 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.234 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.056 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 120.515 0.198 . . . . 0.0 111.247 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.13 120.33 41.95 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.009 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 21.3 t -103.57 130.36 54.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.981 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 1.3 m -128.68 105.83 8.53 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.786 0.327 . . . . 0.0 110.734 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 85.2 mt -98.14 158.76 15.36 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 22.8 t -130.68 101.59 5.8 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 CA-C-O 120.975 0.417 . . . . 0.0 111.224 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.447 ' HB2' ' CE1' ' B' ' 14' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.061 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 . . . . . 0 CA--C 1.534 0.334 0 CA-C-O 120.614 0.245 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . 0.447 ' CE1' ' HB2' ' B' ' 7' ' ' LYS . 45.2 m-85 -52.87 -43.45 66.12 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.253 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.88 40.45 90.21 Favored Glycine 0 C--N 1.337 0.6 0 C-N-CA 121.223 -0.513 . . . . 0.0 112.969 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 pp -106.03 120.28 41.37 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.974 0.416 . . . . 0.0 110.951 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.5 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -76.27 111.51 11.78 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.6 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.04 141.04 30.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.289 -179.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -144.48 166.37 25.33 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.962 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 79.4 p -130.84 149.79 52.31 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.875 0.369 . . . . 0.0 111.596 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' HIS . . . . . 0.438 ' HD2' ' CE1' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -115.12 179.95 3.81 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.772 179.802 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . 0.426 HG23 HD12 ' A' ' 18' ' ' LEU . 31.1 mm -133.58 139.92 47.82 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 CA-C-O 120.725 0.298 . . . . 0.0 111.375 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.402 ' CE1' ' HD2' ' A' ' 21' ' ' HIS . 10.2 p90 -149.62 176.75 10.37 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.092 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.9 t -100.75 113.46 36.72 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.026 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.417 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 9.7 tptp -65.64 -34.71 78.86 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.425 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -177.82 173.12 1.61 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.79 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 3.1 mp -137.5 136.35 46.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.917 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 1.5 m -79.8 155.81 27.7 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.196 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -79.15 158.9 27.64 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.867 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 58.78 30.62 20.27 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.243 -179.577 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 3.2 m -109.92 172.02 7.11 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.975 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.429 HD13 ' CD2' ' A' ' 14' ' ' TYR . 4.4 mt -59.18 -42.45 90.88 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.848 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.39 -43.71 89.78 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.156 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.4 -37.18 77.35 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.137 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -79.55 -39.61 31.45 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.017 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.0 -35.39 80.56 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.409 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.83 37.01 91.98 Favored Glycine 0 C--N 1.336 0.532 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.457 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -122.1 -45.84 2.22 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.454 0.169 . . . . 0.0 111.3 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . 0.431 ' CD1' HD22 ' A' ' 5' ' ' LEU . 31.6 mt -83.33 114.39 23.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -119.55 159.1 24.98 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.975 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -62.81 123.45 18.48 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.712 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.01 -18.1 50.48 Favored Glycine 0 CA--C 1.523 0.533 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.845 -179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -55.09 117.98 3.94 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.778 0.323 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.2 t -85.7 113.92 24.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.0 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 18.6 t -88.7 121.73 39.25 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -89.49 -47.14 8.19 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.708 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.5 155.88 49.8 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.164 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 29.8 mt -132.82 123.18 48.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.927 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 12.8 p30 43.79 40.87 3.36 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.065 0.546 . . . . 0.0 111.683 -179.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.57 35.3 36.98 Favored Glycine 0 CA--C 1.521 0.455 0 C-N-CA 120.907 -0.664 . . . . 0.0 113.05 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.37 123.25 12.71 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.763 0.282 . . . . 0.0 110.319 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 10.2 t -67.1 132.98 32.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.528 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.43 18.83 21.06 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.531 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.98 150.76 28.79 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.345 179.158 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . 0.402 ' HB2' ' CD2' ' A' ' 58' ' ' LEU . 5.3 p30 55.63 13.69 1.06 Allowed 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.477 -179.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 1.7 ttm -95.18 139.2 31.84 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.609 0.242 . . . . 0.0 110.64 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 2.9 m -60.56 144.72 50.94 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.712 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 58.1 tp -53.84 -32.92 54.6 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.851 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.51 -41.94 65.36 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.518 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -60.09 -40.11 88.46 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.534 179.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.73 -37.9 74.38 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 5.9 mmmt -60.85 -34.08 74.04 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.649 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.41 -40.04 95.01 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.087 179.564 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 2.9 mt -55.7 -34.59 65.21 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.828 0.347 . . . . 0.0 110.52 179.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 37.5 mt -72.1 -32.24 42.78 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.905 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -76.98 -48.42 18.07 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.785 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -16.68 61.01 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.76 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 31.3 t -50.36 114.6 1.16 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.737 0.303 . . . . 0.0 111.108 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.56 75.24 3.27 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.602 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 85.61 -90.89 1.67 Allowed Glycine 0 C--N 1.333 0.405 0 C-N-CA 121.001 -0.618 . . . . 0.0 112.771 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.94 147.68 34.86 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.747 0.308 . . . . 0.0 111.278 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . 0.405 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -124.78 129.53 50.63 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.963 179.848 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -106.47 132.68 52.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.435 179.424 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 4.5 mtp -133.25 119.09 19.36 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.822 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 25.3 t -99.02 117.57 44.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.979 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 27.8 m -117.19 167.75 9.84 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.402 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 . . . . . 0 C--O 1.233 0.217 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.959 179.788 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.142 0 CA-C-O 120.708 0.29 . . . . 0.0 110.671 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 22.8 t -110.52 123.1 66.12 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.031 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.9 m -128.93 107.2 9.44 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.856 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.6 mt -104.94 138.57 40.96 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.5 t -110.29 101.78 13.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-O 120.863 0.363 . . . . 0.0 111.189 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.446 ' HB2' ' CE1' ' A' ' 14' ' ' TYR . 1.8 ttmt . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.713 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 . . . . . 0 C--O 1.234 0.262 0 CA-C-O 120.839 0.352 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.454 ' CE1' ' HB2' ' B' ' 72' ' ' LEU . 21.7 m-85 -64.29 -31.82 73.18 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.038 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.31 25.84 41.95 Favored Glycine 0 C--N 1.34 0.759 0 C-N-CA 121.274 -0.489 . . . . 0.0 113.375 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 pp -94.29 118.41 31.55 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.911 0.386 . . . . 0.0 110.802 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.462 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 8.1 mmt85 -73.48 116.75 14.42 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.589 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -103.56 132.52 49.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.53 -179.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -136.62 175.02 9.99 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.843 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.6 p -132.2 143.99 50.34 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.843 0.354 . . . . 0.0 111.75 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.442 ' HD2' ' CE1' ' B' ' 23' ' ' PHE . 0.1 OUTLIER -116.3 -179.72 3.75 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.927 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.448 HG13 ' HB ' ' A' ' 53' ' ' THR . 23.3 mm -129.65 140.69 48.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.179 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.453 ' CE1' ' HD2' ' B' ' 21' ' ' HIS . 3.6 p90 -148.56 175.74 10.91 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.206 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.6 t -108.45 115.57 49.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.124 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.482 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 9.3 tptp -59.89 -45.25 93.12 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -175.33 174.8 2.3 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.014 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.0 mp -124.71 134.27 67.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.4 t -74.34 150.93 39.88 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.978 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -74.35 148.81 40.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.826 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 58.71 37.5 25.1 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.074 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.1 p -112.37 171.6 7.42 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.84 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.402 ' HB2' ' HA ' ' B' ' 14' ' ' TYR . 28.1 mt -60.59 -41.14 94.11 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.95 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.28 -43.58 98.51 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.039 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.09 -36.57 82.08 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.11 179.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -79.2 -42.19 26.61 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.626 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.29 -35.19 75.0 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.221 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.12 36.87 92.48 Favored Glycine 0 C--N 1.336 0.531 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.667 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -118.45 -43.54 2.7 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.717 0.258 . . . . 0.0 111.35 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 12.6 mt -84.48 137.54 20.7 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.039 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -138.62 146.59 41.91 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.717 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.99 122.35 12.11 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.836 0.35 . . . . 0.0 110.731 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.23 -16.46 49.4 Favored Glycine 0 CA--C 1.523 0.545 0 C-N-CA 120.8 -0.714 . . . . 0.0 113.022 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.39 144.5 20.59 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.9 0.35 . . . . 0.0 111.135 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.5 t -109.86 99.28 8.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.183 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.0 t -77.79 126.54 38.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.331 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.22 -45.18 8.78 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.114 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.51 155.26 46.05 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.995 0.426 . . . . 0.0 111.632 -179.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 31.3 mt -137.49 121.84 23.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.389 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 57.28 33.61 23.55 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.208 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.46 33.55 34.66 Favored Glycine 0 CA--C 1.522 0.518 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.935 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.42 129.71 11.27 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.712 0.256 . . . . 0.0 110.773 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.8 t -72.88 135.12 28.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.583 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.448 ' HB ' HG13 ' A' ' 22' ' ' ILE . 0.9 OUTLIER -108.35 28.49 8.27 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.366 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -84.88 143.85 28.77 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.966 179.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.1 m120 63.92 13.93 7.99 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.835 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -98.59 -173.21 2.48 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 120.781 0.324 . . . . 0.0 110.951 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.95 151.34 21.0 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.709 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.9 tp -56.65 -29.79 62.66 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.711 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.88 -37.01 83.61 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.737 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -56.74 -45.21 82.13 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.832 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.53 -39.71 73.84 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.713 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -65.8 -35.76 81.6 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.905 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.21 -46.82 82.21 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.912 179.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.24 -37.13 69.33 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.827 0.346 . . . . 0.0 110.588 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.3 mt -76.86 -30.07 18.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.73 179.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.53 -52.03 24.58 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-O 120.735 0.303 . . . . 0.0 110.972 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -60.38 -33.14 72.04 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.19 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.41 ' CB ' ' HG ' ' A' ' 72' ' ' LEU . 3.1 m -58.54 115.95 3.35 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.729 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.83 68.1 0.87 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.244 -179.377 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.436 ' HA2' ' HG3' ' B' ' 7' ' ' LYS . . . 135.68 -95.94 0.26 Allowed Glycine 0 C--N 1.333 0.379 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.837 179.45 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.0 115.58 27.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 0.0 111.353 -179.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.41 ' HG ' ' CB ' ' A' ' 68' ' ' SER . 0.6 OUTLIER -99.66 149.18 23.56 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.751 179.578 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -126.05 135.05 51.31 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.902 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 26.6 mtm -147.65 125.22 11.73 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.707 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.6 t -98.23 127.51 50.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.714 0.292 . . . . 0.0 111.174 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.2 t -111.23 164.52 7.1 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 . . . . . 0 N--CA 1.464 0.242 0 CA-C-O 120.706 0.289 . . . . 0.0 111.185 -179.863 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 120.653 0.263 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -89.75 120.04 30.67 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 59.5 t -103.55 121.04 54.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.038 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -128.27 105.75 8.56 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.068 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.412 HD12 ' CD1' ' B' ' 14' ' ' TYR . 58.0 mt -94.58 159.19 15.2 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.488 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 20.3 t -137.95 101.53 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-O 120.923 0.392 . . . . 0.0 111.305 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.436 ' HG3' ' HA2' ' A' ' 70' ' ' GLY . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.183 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.797 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.23 0 CA-C-O 120.666 0.27 . . . . 0.0 110.55 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . 0.412 ' CD1' HD12 ' B' ' 5' ' ' LEU . 71.6 m-85 -58.82 -32.46 69.4 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.935 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.08 46.38 93.84 Favored Glycine 0 C--N 1.337 0.619 0 C-N-CA 121.313 -0.47 . . . . 0.0 113.111 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 pp -121.3 127.92 51.81 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.834 0.35 . . . . 0.0 111.076 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.482 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 4.1 mmt180 -85.09 112.79 20.98 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.59 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -100.05 135.74 41.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.434 -179.556 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -141.24 167.59 21.82 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.573 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 58.4 p -121.59 151.05 40.81 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.018 0.437 . . . . 0.0 111.702 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' HIS . . . . . 0.453 ' HD2' ' CE1' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -122.4 177.94 5.17 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.795 179.916 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 32.6 mm -130.65 143.09 41.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.082 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.442 ' CE1' ' HD2' ' A' ' 21' ' ' HIS . 7.8 p90 -149.45 178.62 8.64 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.254 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 39.9 t -105.09 110.86 32.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.012 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.462 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 4.6 tttp -62.18 -38.44 89.08 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -171.18 172.59 5.27 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.848 0.356 . . . . 0.0 111.052 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 2.9 mp -130.12 133.61 64.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 2.2 m -70.16 154.56 41.77 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.237 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -81.82 143.12 31.97 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.95 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 57.44 31.76 20.73 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.154 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.58 174.48 5.88 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.953 0.406 . . . . 0.0 110.817 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 21.8 mt -57.31 -37.11 71.97 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.37 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.66 -40.44 88.62 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.682 -0.236 . . . . 0.0 111.011 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.14 -45.14 86.22 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.0 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -64.34 -37.64 88.23 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.738 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.15 -35.95 66.56 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.132 179.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.25 29.57 71.95 Favored Glycine 0 C--N 1.334 0.454 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.543 -179.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -107.99 -31.74 7.85 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 111.591 0.219 . . . . 0.0 111.591 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 29.3 mm -89.46 129.46 40.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-O 120.695 0.283 . . . . 0.0 111.254 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -129.65 153.68 47.87 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -61.06 112.87 2.26 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.738 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.56 -13.77 56.6 Favored Glycine 0 CA--C 1.523 0.558 0 C-N-CA 120.865 -0.683 . . . . 0.0 113.036 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.64 127.63 28.91 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.904 0.352 . . . . 0.0 111.094 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 29.0 t -86.63 133.89 28.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.563 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 23.8 t -108.47 118.89 57.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.843 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.15 -46.3 8.92 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.178 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 11.1 mtmt -124.93 153.75 42.21 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.84 0.352 . . . . 0.0 111.341 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 25.6 mt -142.46 124.4 12.9 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.484 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 57.18 32.3 21.49 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.371 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.28 26.09 62.37 Favored Glycine 0 CA--C 1.522 0.486 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.741 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 2.3 m -139.5 138.44 36.36 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.688 0.28 . . . . 0.0 110.74 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 23.2 t -68.07 140.95 18.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.482 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.9 27.38 8.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.253 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.49 150.47 21.78 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 120.731 0.3 . . . . 0.0 110.418 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 7.3 p30 52.0 17.35 0.65 Allowed 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.39 -179.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -100.67 164.18 11.99 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.744 0.307 . . . . 0.0 110.745 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 5.8 t -72.37 143.14 48.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.696 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 55.0 tp -56.3 -33.34 65.44 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.708 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.51 -40.38 92.95 Favored 'General case' 0 CA--C 1.527 0.089 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.471 179.462 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.76 -38.53 67.31 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.48 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.51 -39.75 94.35 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.9 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.2 -36.39 83.48 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.242 179.391 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.1 -40.91 97.46 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.924 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 11.9 mt -56.79 -34.73 67.94 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.794 0.33 . . . . 0.0 110.266 179.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 38.6 mt -70.41 -30.5 43.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.593 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -74.83 -38.25 62.08 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 120.809 0.337 . . . . 0.0 110.583 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -27.93 68.87 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.577 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 26.5 p -60.43 116.58 4.41 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.993 0.425 . . . . 0.0 111.064 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 3.0 mtmm -100.31 35.63 2.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.006 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 137.86 -75.34 0.38 Allowed Glycine 0 C--N 1.333 0.383 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.48 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 7.7 tttp -83.22 123.26 29.4 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.883 0.373 . . . . 0.0 111.195 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . 0.454 ' HB2' ' CE1' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -117.02 132.06 56.79 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.623 179.662 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 2.5 mttp -112.22 136.3 51.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.702 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 19.8 mtm -144.95 121.04 10.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.549 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 19.8 t -97.75 124.04 50.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.265 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 31.0 m -113.08 165.07 8.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.34 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 . . . . . 0 N--CA 1.463 0.204 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.374 -179.877 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? . . . . . 0 C--O 1.233 0.202 0 CA-C-O 120.8 0.333 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.0 t -120.58 129.66 75.36 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.123 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.0 m -127.71 119.27 25.44 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.793 0.33 . . . . 0.0 111.058 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -115.06 158.72 21.74 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.0 t -132.08 101.55 4.95 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.054 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.41 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 8.4 ttmt . . . . . 0 CA--C 1.531 0.237 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.15 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.455 -0.196 0 CA-C-O 120.887 0.375 . . . . 0.0 111.271 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.429 ' CD1' HD12 ' B' ' 32' ' ' LEU . 74.3 m-85 -75.59 -25.82 57.35 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.299 179.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.8 38.74 89.74 Favored Glycine 0 C--N 1.337 0.633 0 C-N-CA 121.147 -0.549 . . . . 0.0 112.985 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 pp -128.52 135.61 49.65 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.838 0.352 . . . . 0.0 110.985 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.585 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.6 OUTLIER -93.45 122.95 36.41 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.695 179.765 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.57 140.97 35.14 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.49 -179.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -147.33 165.49 30.0 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.855 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.403 ' OG ' ' HA ' ' A' ' 55' ' ' ASN . 81.6 p -131.73 151.8 51.38 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.978 0.418 . . . . 0.0 111.666 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -121.19 179.14 4.49 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.863 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.0 mm -130.54 142.15 44.44 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.998 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.421 ' CE1' ' HD2' ' B' ' 21' ' ' HIS . 6.4 p90 -149.68 176.61 10.52 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.199 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.9 t -103.66 111.17 32.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.784 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.452 ' HB3' ' HG2' ' B' ' 17' ' ' ARG . 6.1 tptt -60.39 -37.25 80.18 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.379 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.413 ' HG2' ' CB ' ' B' ' 17' ' ' ARG . 1.1 pt-20 -179.55 171.56 1.22 Allowed 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.738 0.304 . . . . 0.0 111.085 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.3 mp -126.07 136.85 59.59 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.978 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.4 m -75.64 156.27 35.03 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.22 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -80.78 149.74 29.5 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.954 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 58.18 33.87 23.58 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.139 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.9 p -108.24 174.57 5.82 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.119 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.8 mt -61.57 -41.41 97.35 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.934 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.7 -41.06 98.17 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.887 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.88 -37.51 82.41 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.952 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.69 -42.35 41.99 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.127 179.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.96 -36.96 85.68 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.237 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.2 33.01 77.21 Favored Glycine 0 C--N 1.336 0.552 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.747 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.408 ' CB ' HG12 ' B' ' 3' ' ' VAL . 6.1 m-80 -112.67 -39.17 4.39 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 120.442 0.163 . . . . 0.0 111.325 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 19.4 mm -85.3 126.35 40.4 Favored 'Isoleucine or valine' 0 C--O 1.232 0.145 0 CA-C-O 120.697 0.284 . . . . 0.0 110.935 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -129.44 153.94 47.45 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.922 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -58.73 124.99 21.6 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.958 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.59 -9.77 73.47 Favored Glycine 0 CA--C 1.523 0.593 0 C-N-CA 120.869 -0.681 . . . . 0.0 113.324 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -56.94 121.15 9.24 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 117.198 0.499 . . . . 0.0 110.865 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.7 t -83.5 120.83 35.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.944 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.5 t -91.35 134.06 31.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.263 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -106.48 -39.48 5.86 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.135 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -138.41 155.99 47.99 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.93 0.395 . . . . 0.0 111.455 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 23.9 mt -142.57 123.97 12.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.517 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 57.81 33.37 23.13 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.202 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.2 32.67 51.58 Favored Glycine 0 C--N 1.337 0.614 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.735 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.3 m -145.27 143.56 30.29 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.698 0.249 . . . . 0.0 110.904 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.7 t -77.11 139.42 18.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.64 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.66 35.85 4.78 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.433 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.49 142.75 26.98 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.753 0.311 . . . . 0.0 110.236 179.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.403 ' HA ' ' OG ' ' A' ' 20' ' ' SER . 8.4 m-20 62.77 14.05 6.98 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.738 -0.664 . . . . 0.0 112.063 -179.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.1 tpp -96.24 161.23 14.04 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.735 0.302 . . . . 0.0 110.841 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.49 145.66 49.04 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.635 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.8 tp -54.98 -32.63 61.82 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.979 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.3 -38.47 87.82 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.673 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -57.29 -46.0 83.59 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.744 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.76 -37.17 73.18 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.005 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.9 mmtt -65.95 -37.44 86.03 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.653 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.13 -44.37 92.04 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.188 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.8 mt -56.49 -36.77 69.5 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.766 0.317 . . . . 0.0 110.418 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 33.3 mt -73.56 -30.64 30.19 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.932 179.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -76.78 -48.54 18.31 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.019 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.59 -28.63 65.75 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.357 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.4 m -58.17 104.5 0.21 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.857 0.36 . . . . 0.0 111.186 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.3 mttm -66.44 -35.55 80.58 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.401 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.499 ' O ' ' HG2' ' B' ' 7' ' ' LYS . . . -152.85 -95.86 0.12 Allowed Glycine 0 C--N 1.337 0.6 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.893 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -60.37 123.63 17.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.753 0.311 . . . . 0.0 111.336 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.443 ' HB2' ' CE1' ' B' ' 14' ' ' TYR . 0.6 OUTLIER -109.63 148.62 31.0 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.955 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -125.51 129.57 50.02 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.735 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -139.52 126.49 20.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.677 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 24.5 t -100.01 110.96 28.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.774 0.321 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 28.2 m -121.5 173.79 6.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.474 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 . . . . . 0 C--O 1.233 0.195 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.605 179.443 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 120.682 0.277 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.79 125.81 52.35 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.97 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' VAL . . . . . 0.408 HG12 ' CB ' ' A' ' 38' ' ' ASN . 17.5 t -106.59 127.87 61.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.804 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 18.9 m -128.34 116.69 20.19 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.874 0.369 . . . . 0.0 111.13 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -110.52 160.24 16.81 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.455 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 21.8 t -136.74 100.01 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.225 0 CA-C-O 120.742 0.306 . . . . 0.0 111.31 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.499 ' HG2' ' O ' ' A' ' 70' ' ' GLY . 10.3 ptmm? . . . . . 0 N--CA 1.466 0.327 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.178 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 . . . . . 0 N--CA 1.449 -0.489 0 CA-C-O 120.712 0.291 . . . . 0.0 110.786 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . 0.443 ' CE1' ' HB2' ' A' ' 72' ' ' LEU . 6.6 m-85 -74.69 -31.6 61.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.941 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.54 44.81 95.25 Favored Glycine 0 C--N 1.338 0.685 0 C-N-CA 121.106 -0.569 . . . . 0.0 112.941 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 2.5 pp -115.04 118.57 33.77 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.045 0.45 . . . . 0.0 110.863 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.452 ' HG2' ' HB3' ' A' ' 25' ' ' LYS . 16.7 tpp180 -74.76 115.5 14.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.323 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -98.99 124.68 44.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.228 -179.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -129.24 169.88 14.27 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.775 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 89.4 p -129.68 152.83 48.76 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.965 0.412 . . . . 0.0 111.497 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' HIS . . . . . 0.421 ' HD2' ' CE1' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -120.97 179.02 4.5 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.502 179.653 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . 0.419 HG13 ' CG2' ' B' ' 53' ' ' THR . 26.3 mm -132.86 141.96 43.58 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-O 120.746 0.308 . . . . 0.0 111.339 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -149.54 -179.55 7.18 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.238 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 22.4 t -105.62 112.7 40.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.915 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.585 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 11.0 tptt -62.34 -37.79 87.0 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.291 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -175.85 173.47 2.31 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.054 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 3.4 mp -140.53 135.35 35.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.477 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 52.6 p -85.69 143.87 28.13 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.896 0.379 . . . . 0.0 110.846 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -71.41 161.17 31.48 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.926 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 58.49 30.86 20.31 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.081 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 34.3 m -115.85 176.87 4.89 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.678 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.429 HD12 ' CD1' ' A' ' 14' ' ' TYR . 61.0 mt -57.17 -38.77 74.08 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.035 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.04 -42.62 80.29 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.318 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.47 -45.82 92.35 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.935 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.38 -34.64 74.85 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.535 179.159 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -70.11 -40.67 74.76 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.244 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.25 30.72 69.25 Favored Glycine 0 C--N 1.335 0.481 0 C-N-CA 121.05 -0.595 . . . . 0.0 113.095 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -116.89 -37.85 3.53 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.889 0.345 . . . . 0.0 111.777 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 22.8 mt -85.14 123.58 39.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-O 120.662 0.268 . . . . 0.0 110.955 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -129.48 153.68 47.74 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.94 121.94 14.22 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.741 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.75 -18.04 48.06 Favored Glycine 0 CA--C 1.522 0.494 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.968 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -56.29 131.12 47.19 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.85 0.325 . . . . 0.0 111.059 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.9 t -100.87 116.85 45.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.695 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 32.9 t -94.86 131.32 42.01 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.179 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.2 pp -103.5 -37.27 7.65 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.441 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -130.61 147.79 52.33 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.734 0.302 . . . . 0.0 110.906 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 23.4 mt -135.38 112.16 13.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.725 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 60.43 34.55 20.54 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.205 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.07 28.1 46.82 Favored Glycine 0 C--N 1.336 0.571 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.928 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -139.11 122.09 16.71 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.841 0.321 . . . . 0.0 110.692 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 15.4 t -61.4 142.28 16.38 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.47 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' THR . . . . . 0.419 ' CG2' HG13 ' B' ' 22' ' ' ILE . 0.2 OUTLIER -118.81 25.08 10.47 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.436 -179.808 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.62 148.52 24.01 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 179.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 7.6 p30 52.05 18.52 0.85 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.341 -179.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 1.7 ttm -99.52 153.3 19.14 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 120.602 0.239 . . . . 0.0 110.656 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 5.8 p -66.12 145.24 56.06 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.626 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.403 HD22 ' HB3' ' A' ' 55' ' ' ASN . 18.1 tp -56.18 -31.75 63.7 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.78 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.08 -37.79 88.65 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.72 179.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -56.61 -46.09 81.09 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.807 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.23 -38.95 74.54 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.781 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -64.89 -36.98 86.11 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.601 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.17 -40.81 98.63 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.966 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 5.2 mt -56.64 -34.43 67.29 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.738 0.304 . . . . 0.0 110.609 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 32.0 mt -73.78 -29.73 26.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 179.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -78.69 -46.56 18.8 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.629 0.252 . . . . 0.0 110.816 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 67.1 ttp85 -62.24 -20.92 64.73 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.62 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 52.8 p -51.43 108.94 0.3 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 121.033 0.444 . . . . 0.0 110.922 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -31.14 72.0 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.155 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -169.39 -70.81 0.04 OUTLIER Glycine 0 C--N 1.336 0.562 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.372 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 8.2 ptpt -87.42 134.85 33.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.832 0.348 . . . . 0.0 111.085 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -111.48 141.65 44.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.691 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -125.37 134.06 52.32 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.905 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 1.4 mpp? -129.12 152.52 48.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.711 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 20.1 t -124.57 111.38 28.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.188 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.4 t -100.46 157.35 4.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.238 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.252 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.203 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.128 0 CA-C-O 120.767 0.318 . . . . 0.0 110.723 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.421 HG12 ' CD2' ' A' ' 5' ' ' LEU . 12.0 t -103.68 131.32 52.54 Favored 'Isoleucine or valine' 0 C--O 1.231 0.114 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.974 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.1 m -129.1 105.86 8.46 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-O 120.831 0.348 . . . . 0.0 111.116 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.421 ' CD2' HG12 ' A' ' 3' ' ' VAL . 2.7 mm? -94.34 157.83 15.85 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.872 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 20.1 t -132.85 102.79 5.4 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 CA-C-O 120.942 0.401 . . . . 0.0 111.257 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm . . . . . 0 C--O 1.232 0.171 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.672 179.688 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.234 0.264 0 CA-C-O 120.47 0.176 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -51.35 -40.18 58.59 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.833 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.96 46.91 90.64 Favored Glycine 0 C--N 1.337 0.628 0 CA-C-N 116.058 -0.519 . . . . 0.0 113.349 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 pp -122.92 122.13 37.86 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.91 0.386 . . . . 0.0 110.936 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.472 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -79.26 112.41 16.46 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.538 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.42 139.65 32.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.53 -179.356 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -142.82 164.94 28.73 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.053 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 54.2 p -126.96 152.64 46.9 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.966 0.412 . . . . 0.0 111.465 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.411 ' HD2' ' CE1' ' B' ' 23' ' ' PHE . 0.1 OUTLIER -120.99 176.1 5.73 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.818 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.414 HG13 ' CG2' ' A' ' 53' ' ' THR . 26.1 mm -132.2 140.69 47.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.389 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.405 ' CE1' ' HD2' ' B' ' 21' ' ' HIS . 12.5 p90 -149.49 179.92 7.59 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.22 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -106.09 113.48 42.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.976 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.492 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 9.7 tptt -63.63 -38.06 89.67 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.195 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -175.3 173.08 2.6 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.854 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.6 mp -136.86 138.22 46.3 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.907 179.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.6 m -84.35 149.09 26.27 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.117 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -77.17 158.98 30.06 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.114 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 57.98 31.24 20.36 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.304 -179.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.16 178.14 4.39 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.853 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.435 HD11 ' CD2' ' B' ' 14' ' ' TYR . 80.7 mt -58.4 -35.96 72.83 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.968 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.426 ' HA ' HD12 ' B' ' 5' ' ' LEU . . . -68.98 -38.53 79.39 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.244 179.293 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.08 -48.63 73.06 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.158 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.96 -40.8 97.26 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.896 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -68.89 -41.58 78.11 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.163 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.79 37.17 93.15 Favored Glycine 0 CA--C 1.521 0.447 0 C-N-CA 121.116 -0.564 . . . . 0.0 112.97 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -120.42 4.84 10.7 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.442 HD13 HD22 ' B' ' 5' ' ' LEU . 3.7 mt -128.04 131.19 69.69 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-O 120.618 0.247 . . . . 0.0 111.033 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 -123.32 157.77 32.49 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -62.41 118.43 7.5 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.764 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.89 -1.18 55.21 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 120.966 -0.635 . . . . 0.0 113.279 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.35 134.12 56.72 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 117.167 0.483 . . . . 0.0 110.905 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 36.5 t -97.08 115.07 35.71 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.021 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 20.1 t -90.45 128.4 42.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.337 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.8 mp -102.79 -43.52 5.54 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.013 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.61 152.22 51.71 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.776 0.322 . . . . 0.0 111.554 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.5 mt -139.08 125.37 23.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.806 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.5 p30 44.13 37.52 1.9 Allowed 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.905 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.72 37.5 22.92 Favored Glycine 0 C--N 1.338 0.645 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.766 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.2 m -145.58 126.11 14.13 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.559 0.219 . . . . 0.0 110.615 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.1 t -62.44 144.15 14.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.566 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.414 ' CG2' HG13 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -125.44 53.94 1.51 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.048 0.451 . . . . 0.0 110.873 -179.818 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.8 138.36 53.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.233 179.34 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 70.57 5.03 5.22 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.97 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.9 ttm -91.59 159.94 15.65 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.767 0.318 . . . . 0.0 111.015 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 79.5 p -75.44 148.67 38.91 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.782 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 30.1 tp -56.42 -31.18 63.67 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.717 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.65 -40.79 92.85 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.777 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.92 -41.2 82.2 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.863 179.633 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.37 -37.25 74.86 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.752 179.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -35.74 78.06 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.237 179.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.7 -41.03 88.66 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.901 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.4 mt -56.4 -34.94 67.21 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 120.707 0.289 . . . . 0.0 110.615 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 23.2 mt -69.62 -29.8 42.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.708 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.21 -51.72 14.57 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.884 179.694 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.4 ttt85 -62.53 -24.97 67.79 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.344 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 m -57.77 115.17 2.65 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.742 0.306 . . . . 0.0 111.111 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.6 mmpp? -86.57 106.54 17.62 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.635 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 61.66 -98.62 0.19 Allowed Glycine 0 C--N 1.335 0.493 0 C-N-CA 121.247 -0.502 . . . . 0.0 113.546 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.26 140.24 58.13 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 120.725 0.298 . . . . 0.0 111.179 -179.38 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.68 144.87 50.79 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.083 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 59.1 mttt -122.28 131.85 54.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.538 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 8.1 mtm -138.87 125.09 20.21 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.801 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 18.4 t -100.15 115.48 41.44 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.153 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.706 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.1 m -115.44 162.94 13.13 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.503 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.464 0.228 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.241 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 120.809 0.337 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.51 134.43 55.22 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.988 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 17.9 t -110.04 119.14 58.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.614 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.92 107.92 14.67 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 120.76 0.314 . . . . 0.0 111.439 -179.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.442 HD22 HD13 ' A' ' 39' ' ' ILE . 3.2 mm? -99.67 160.06 14.58 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.92 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 19.8 t -130.36 100.61 5.11 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.958 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.407 ' HB2' ' CZ ' ' B' ' 14' ' ' TYR . 5.9 ttmt . . . . . 0 C--O 1.234 0.238 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.232 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 . . . . . 0 CA--C 1.531 0.237 0 CA-C-O 120.928 0.394 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . 0.435 ' CD2' HD11 ' A' ' 32' ' ' LEU . 41.5 m-85 -71.25 -20.22 62.26 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.796 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.04 42.28 94.92 Favored Glycine 0 C--N 1.338 0.676 0 C-N-CA 121.156 -0.545 . . . . 0.0 112.91 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 2.8 pp -116.15 122.49 45.24 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.842 0.353 . . . . 0.0 111.043 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.492 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -79.2 111.34 15.32 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.53 179.706 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.3 137.11 33.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.4 -179.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.401 ' CB ' ' CZ ' ' A' ' 23' ' ' PHE . . . -137.5 175.54 9.51 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.989 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 6.8 p -141.01 150.89 43.62 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.993 0.425 . . . . 0.0 111.951 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' HIS . . . . . 0.405 ' HD2' ' CE1' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -121.9 -179.75 4.24 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.841 179.869 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 35.1 mm -134.12 140.31 46.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.279 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.411 ' CE1' ' HD2' ' A' ' 21' ' ' HIS . 7.7 p90 -149.07 -178.13 6.2 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.385 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 12.2 t -109.16 119.84 59.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.024 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.472 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 10.9 tptm -68.12 -45.41 73.73 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.649 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.404 ' HA ' ' HG3' ' B' ' 41' ' ' GLU . 0.1 OUTLIER -165.67 172.69 11.59 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.844 0.354 . . . . 0.0 111.214 -179.623 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 2.2 mm -125.66 129.91 72.63 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.951 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 6.5 p -78.72 146.51 33.87 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.604 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -74.95 150.07 39.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.157 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 60.43 37.94 19.61 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.431 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 9.2 p -115.36 177.89 4.5 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.837 0.351 . . . . 0.0 111.277 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 64.9 mt -63.32 -36.76 84.75 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.638 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.35 -43.91 89.39 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.008 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.46 -43.44 93.21 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.876 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 28.3 tpt180 -71.16 -39.49 71.86 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.755 179.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -64.54 -35.38 80.78 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.185 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.91 39.74 89.37 Favored Glycine 0 C--N 1.334 0.452 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.531 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -129.77 -51.67 1.15 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.599 0.2 . . . . 0.0 111.275 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 29.6 mm -71.57 116.37 13.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -126.43 171.26 11.17 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.208 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . 0.404 ' HG3' ' HA ' ' B' ' 26' ' ' GLU . 6.1 mp0 -74.46 128.23 35.02 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.771 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.45 -18.99 55.9 Favored Glycine 0 CA--C 1.522 0.472 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.985 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -56.39 132.81 52.14 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.824 0.312 . . . . 0.0 111.098 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.7 t -99.9 125.83 53.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.355 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 21.3 t -97.48 131.24 44.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.421 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.1 -44.46 6.61 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.98 179.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.39 154.49 50.71 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.689 -179.349 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 37.1 mt -133.14 120.34 39.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 179.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 22.7 p30 43.85 38.1 1.96 Allowed 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.277 0.631 . . . . 0.0 111.892 -179.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.5 37.78 16.37 Favored Glycine 0 C--N 1.336 0.545 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.793 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.2 120.1 8.72 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.785 0.293 . . . . 0.0 110.627 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 18.3 t -65.3 138.59 22.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.535 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.73 37.75 4.21 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.236 -179.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -102.46 146.25 28.37 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 120.727 0.299 . . . . 0.0 110.219 179.11 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 4.8 m120 63.86 9.37 4.44 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.176 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -97.59 161.96 13.52 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 120.954 0.407 . . . . 0.0 111.213 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 10.4 m -77.4 150.71 35.03 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.823 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 8.2 tp -54.6 -30.06 53.52 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.895 179.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.98 -42.07 97.66 Favored 'General case' 0 C--O 1.231 0.086 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.75 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -56.73 -45.02 82.2 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.794 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.65 -38.93 72.84 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.651 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 9.1 mtmm -65.47 -38.11 88.83 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.327 179.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.2 -39.26 89.52 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.926 179.504 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.19 -36.06 67.96 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.795 0.331 . . . . 0.0 110.513 179.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 13.0 mt -75.05 -31.2 24.51 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 179.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.82 -49.39 53.1 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.077 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.34 -33.73 72.83 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.201 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' SER . . . . . 0.402 ' CB ' ' HG ' ' B' ' 72' ' ' LEU . 63.2 m -74.72 90.59 2.33 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.849 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.84 36.17 1.87 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.214 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -172.34 -102.74 0.16 Allowed Glycine 0 C--N 1.333 0.386 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.407 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.45 122.11 35.54 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.946 0.373 . . . . 0.0 111.07 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . 0.402 ' HG ' ' CB ' ' B' ' 68' ' ' SER . 0.3 OUTLIER -108.44 144.1 36.49 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.87 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.98 142.01 51.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.751 179.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 32.9 mtm -147.02 127.5 14.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.677 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 24.2 t -97.91 111.12 26.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.559 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 14.4 m -102.52 169.99 1.8 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.289 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? . . . . . 0 C--O 1.233 0.222 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.165 179.895 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.2 pttp . . . . . 0 C--O 1.233 0.214 0 CA-C-O 120.867 0.365 . . . . 0.0 111.316 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 36.3 t -104.22 127.14 58.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.883 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.0 m -129.05 105.57 8.28 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.788 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 89.2 mt -98.83 152.29 19.88 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.749 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.8 t -121.19 103.92 14.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.942 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.443 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--O 1.233 0.227 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.0 pm0 . . . . . 0 C--O 1.233 0.23 0 CA-C-O 120.829 0.347 . . . . 0.0 110.796 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.443 ' CZ ' ' HB2' ' A' ' 7' ' ' LYS . 26.8 m-85 -65.63 -47.5 75.38 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.266 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.59 14.95 45.13 Favored Glycine 0 C--N 1.336 0.558 0 C-N-CA 121.092 -0.575 . . . . 0.0 113.307 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.415 ' CD2' ' HB3' ' A' ' 14' ' ' TYR . 2.6 pp -86.2 112.24 21.16 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 117.377 0.588 . . . . 0.0 111.045 -179.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.467 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 2.9 ttm180 -73.65 130.97 41.13 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.305 179.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -117.67 163.75 16.01 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.11 0.481 . . . . 0.0 111.654 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.435 ' HB1' ' CZ ' ' B' ' 23' ' ' PHE . . . -157.18 -179.08 7.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.999 -179.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.1 p -134.9 149.25 50.25 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.107 0.48 . . . . 0.0 111.685 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.439 ' HD2' ' CE1' ' B' ' 23' ' ' PHE . 0.1 OUTLIER -116.18 176.08 5.26 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.637 179.812 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 30.6 mm -133.95 138.73 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-O 120.796 0.332 . . . . 0.0 111.34 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.468 ' CE1' ' HD2' ' B' ' 21' ' ' HIS . 10.1 p90 -147.81 -179.41 6.88 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.314 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.9 t -103.43 117.02 48.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.069 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.49 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 8.0 tptt -66.18 -39.72 89.91 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.341 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -174.43 175.56 2.55 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.864 0.364 . . . . 0.0 111.083 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.5 mt -130.16 137.27 56.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.042 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m -75.84 150.76 37.6 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.143 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -74.93 144.08 43.42 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.787 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.01 33.45 21.36 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.939 -179.546 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.533 ' HB2' ' HA3' ' B' ' 15' ' ' GLY . 24.2 p -103.92 177.75 4.75 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.274 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.409 ' CD1' ' HA ' ' B' ' 14' ' ' TYR . 0.4 OUTLIER -62.55 -41.78 99.12 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.816 179.912 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.12 -43.1 99.57 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.878 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.79 -36.74 84.37 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.952 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.1 tpt180 -71.6 -41.03 69.45 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.848 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.43 -38.4 74.54 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.447 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.49 36.41 54.58 Favored Glycine 0 C--N 1.334 0.422 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.494 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -118.94 -51.32 2.35 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.483 0.182 . . . . 0.0 110.832 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.41 HD12 HG22 ' B' ' 3' ' ' VAL . 32.9 mm -73.34 125.33 32.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.791 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -131.45 155.68 46.94 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.861 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -60.09 119.67 8.26 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.977 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.89 -19.58 40.8 Favored Glycine 0 CA--C 1.522 0.504 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.686 -179.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.55 123.02 13.38 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.893 0.378 . . . . 0.0 111.1 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.2 t -89.52 120.9 39.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.015 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 20.8 t -89.61 120.43 38.35 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.343 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.07 -47.68 9.95 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.903 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.9 mtpt -136.74 156.23 48.79 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 120.978 0.418 . . . . 0.0 111.493 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 28.3 mt -136.16 118.94 21.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.55 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 56.98 36.75 28.2 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.165 -179.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.35 35.89 41.05 Favored Glycine 0 CA--C 1.521 0.465 0 C-N-CA 120.963 -0.637 . . . . 0.0 112.686 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.76 132.84 24.43 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.54 0.21 . . . . 0.0 110.701 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.3 t -64.63 143.19 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.099 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.26 43.7 2.93 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.062 179.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -115.95 143.99 44.68 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 178.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 65.23 9.44 5.62 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.784 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.6 ttm -98.53 147.66 24.55 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.844 0.354 . . . . 0.0 110.916 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.2 m -61.99 147.57 46.65 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 65.4 tp -54.22 -31.43 53.18 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.667 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.05 -40.39 94.69 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.851 179.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.04 -43.4 77.83 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.792 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.15 -42.07 85.12 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.954 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.9 mttm -62.14 -34.88 77.2 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.564 179.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.8 m -66.53 -40.1 88.97 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 179.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.8 mt -55.52 -34.21 64.44 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.922 0.391 . . . . 0.0 110.42 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 33.0 mt -71.64 -31.06 40.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.62 179.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -74.68 -36.53 62.79 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.789 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -69.81 -25.23 63.67 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.454 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.5 m -64.65 100.2 0.37 Allowed 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 120.771 0.319 . . . . 0.0 110.946 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.8 mmpt? -62.81 -56.34 18.31 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.743 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -124.44 -88.7 0.8 Allowed Glycine 0 C--N 1.336 0.566 0 C-N-CA 120.748 -0.739 . . . . 0.0 113.101 -179.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.35 144.76 48.15 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.755 0.312 . . . . 0.0 110.854 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.452 ' HB2' ' CE1' ' B' ' 14' ' ' TYR . 0.4 OUTLIER -121.36 125.19 46.37 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.005 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -108.36 126.8 53.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.634 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 4.9 mtm -137.37 126.09 23.88 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.721 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.9 t -98.22 111.08 27.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.944 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 10.7 m -105.62 174.19 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.433 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.176 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.062 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 6.7 m . . . . . 0 N--CA 1.489 1.495 0 CA-C-O 120.68 0.276 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -114.58 132.09 56.46 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.247 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' VAL . . . . . 0.41 HG22 HD12 ' A' ' 39' ' ' ILE . 17.8 t -109.77 132.19 58.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.2 108.92 10.72 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.13 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 73.1 mt -103.39 157.77 16.8 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.053 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 21.8 t -129.58 100.76 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.86 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt . . . . . 0 CA--C 1.531 0.218 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.12 -179.834 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 . . . . . 0 N--CA 1.456 -0.141 0 CA-C-O 120.717 0.294 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . 0.452 ' CE1' ' HB2' ' A' ' 72' ' ' LEU . 97.3 m-85 -75.51 -24.3 56.81 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.287 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . 0.533 ' HA3' ' HB2' ' A' ' 31' ' ' SER . . . 72.61 39.76 55.26 Favored Glycine 0 C--N 1.334 0.472 0 C-N-CA 120.999 -0.619 . . . . 0.0 112.765 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 2.5 pp -124.64 125.23 43.79 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.853 0.359 . . . . 0.0 111.16 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.49 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -86.67 120.19 27.72 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.781 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.96 135.93 39.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.728 -179.394 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.41 ' HB1' ' HB2' ' A' ' 25' ' ' LYS . . . -133.6 179.48 6.19 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.721 179.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.422 ' O ' ' HG2' ' B' ' 54' ' ' GLU . 88.1 p -147.27 144.49 28.88 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -179.55 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' HIS . . . . . 0.468 ' HD2' ' CE1' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -119.69 177.77 4.83 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.919 179.64 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 38.0 mm -128.17 141.3 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.092 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.439 ' CE1' ' HD2' ' A' ' 21' ' ' HIS . 12.1 p90 -147.63 175.48 10.84 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.249 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 24.7 t -93.88 125.46 46.47 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-O 120.838 0.351 . . . . 0.0 110.997 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 14.2 tptm -75.22 -42.0 56.46 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.663 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -170.96 174.4 4.77 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.885 0.374 . . . . 0.0 111.412 -179.411 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 8.9 mm -123.25 133.22 69.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.623 179.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -77.88 145.25 36.33 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.707 0.289 . . . . 0.0 111.025 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.01 140.59 42.04 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.75 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 58.15 40.36 25.09 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.262 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 59.1 m -118.25 178.07 4.57 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.964 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 68.0 mt -56.22 -43.99 79.13 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.103 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.42 -45.59 91.13 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.296 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.8 -38.53 91.02 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.107 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 13.9 mmt-85 -73.51 -41.87 62.5 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.005 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.54 -33.67 74.52 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.465 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.12 29.23 73.78 Favored Glycine 0 C--N 1.335 0.516 0 C-N-CA 120.899 -0.667 . . . . 0.0 113.052 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -110.12 -32.75 6.89 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.723 0.261 . . . . 0.0 111.442 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 23.6 mt -97.05 133.02 40.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-O 120.731 0.301 . . . . 0.0 111.201 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -137.34 171.72 14.06 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -72.18 117.94 14.44 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.781 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.08 4.22 44.75 Favored Glycine 0 CA--C 1.523 0.593 0 C-N-CA 121.026 -0.607 . . . . 0.0 113.186 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.76 111.62 9.08 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 117.078 0.439 . . . . 0.0 110.837 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 23.4 t -80.24 104.85 9.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.982 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 21.6 t -83.5 120.84 35.36 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.378 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 7.3 tt -92.87 -37.0 12.52 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.979 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 19.9 mtpt -136.46 152.72 50.88 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.83 0.348 . . . . 0.0 111.496 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 26.0 mt -140.87 120.32 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.435 179.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 57.9 33.18 22.92 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 -179.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.79 33.89 32.56 Favored Glycine 0 C--N 1.336 0.556 0 C-N-CA 120.939 -0.648 . . . . 0.0 113.071 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.26 128.27 15.53 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.807 0.304 . . . . 0.0 110.995 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 22.1 t -69.1 140.06 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.744 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.45 20.94 15.03 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' B' ' 20' ' ' SER . 9.8 tm-20 -92.84 145.77 24.14 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.91 0.386 . . . . 0.0 110.484 179.294 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 74.49 -1.72 3.01 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.095 -179.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 1.9 ttm -97.27 165.99 11.77 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.908 0.385 . . . . 0.0 110.987 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.15 151.85 39.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.741 179.627 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 39.2 tp -54.78 -30.67 57.44 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.572 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.36 -38.88 91.38 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.813 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.34 -43.41 83.37 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.891 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.63 -39.62 81.03 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.767 0.318 . . . . 0.0 110.749 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 6.8 mtpt -64.9 -36.53 84.65 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.587 179.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.31 -42.73 96.17 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.005 179.451 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 2.7 mt -56.0 -36.98 68.52 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.824 0.345 . . . . 0.0 110.148 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 17.8 mt -73.59 -32.03 34.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.774 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -71.24 -46.72 60.44 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.773 0.321 . . . . 0.0 110.972 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -61.06 -26.74 67.85 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.495 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' SER . . . . . 0.452 ' CB ' ' HG ' ' B' ' 72' ' ' LEU . 36.5 m -64.53 95.9 0.15 Allowed 'General case' 0 CA--C 1.53 0.198 0 CA-C-O 120.886 0.374 . . . . 0.0 111.068 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.58 -33.83 35.74 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.437 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -121.62 -98.39 1.54 Allowed Glycine 0 C--N 1.337 0.616 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.973 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -80.73 146.77 30.87 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.787 0.327 . . . . 0.0 111.068 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . 0.452 ' HG ' ' CB ' ' B' ' 68' ' ' SER . 0.5 OUTLIER -121.16 119.37 32.16 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 3.4 tttt -103.24 129.06 50.08 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.591 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 22.2 mtp -137.6 122.68 19.12 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.028 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 20.3 t -98.74 112.61 31.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.929 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 6.0 m -109.4 175.62 1.54 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.388 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.266 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.967 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.6 pttp . . . . . 0 C--O 1.233 0.223 0 CA-C-O 120.653 0.263 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.0 t -114.82 131.66 66.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.169 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.96 105.59 8.31 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.776 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 75.7 mt -100.35 142.76 31.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.587 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.0 t -113.18 101.57 12.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.952 0.406 . . . . 0.0 111.164 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.423 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--O 1.233 0.221 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.955 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.234 0.246 0 CA-C-O 120.729 0.3 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.467 ' CE1' ' HB2' ' B' ' 72' ' ' LEU . 38.1 m-85 -57.95 -42.63 85.36 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.198 -179.587 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 50.32 53.8 22.59 Favored Glycine 0 C--N 1.336 0.583 0 C-N-CA 121.401 -0.428 . . . . 0.0 112.972 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 pp -124.84 124.94 43.16 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.887 0.375 . . . . 0.0 111.071 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.473 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.3 OUTLIER -72.36 121.55 19.69 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.692 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.37 135.38 41.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.612 -179.314 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.404 ' CB ' ' CZ ' ' B' ' 23' ' ' PHE . . . -137.29 177.0 8.21 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.788 179.497 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 83.0 p -142.11 155.43 45.35 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.109 0.481 . . . . 0.0 111.609 -179.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.419 ' HD2' ' CE1' ' B' ' 23' ' ' PHE . 0.1 OUTLIER -122.06 178.73 4.78 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.265 179.586 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.428 HG13 ' HB ' ' A' ' 53' ' ' THR . 29.3 mm -131.55 139.32 50.95 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.156 0 CA-C-O 120.705 0.288 . . . . 0.0 111.248 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.401 ' CE1' ' HD2' ' B' ' 21' ' ' HIS . 8.8 p90 -149.47 177.39 9.76 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.056 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.1 t -104.29 111.76 35.17 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.927 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.436 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 1.5 tttp -62.64 -49.84 73.57 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.441 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -162.58 174.81 12.12 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.094 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.6 mp -123.99 146.96 28.63 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.067 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.5 t -90.93 151.28 21.17 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.871 0.367 . . . . 0.0 111.109 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -75.81 159.59 30.86 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.683 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.1 p30 42.33 34.88 0.55 Allowed 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.911 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.0 m -111.1 174.78 5.7 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.882 0.372 . . . . 0.0 110.594 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.6 mt -58.37 -41.88 85.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.83 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.86 -41.77 96.56 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.183 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.84 -39.86 87.77 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.353 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.39 -47.63 54.99 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.362 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.2 -37.71 88.45 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.598 0.237 . . . . 0.0 111.389 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.45 40.58 96.36 Favored Glycine 0 C--N 1.334 0.459 0 C-N-CA 121.172 -0.537 . . . . 0.0 113.125 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -122.33 8.84 9.69 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 mp -129.08 139.74 51.08 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-O 120.629 0.252 . . . . 0.0 111.231 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -132.1 156.2 46.77 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.009 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -67.83 121.48 16.1 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.629 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.38 -16.98 57.47 Favored Glycine 0 CA--C 1.523 0.583 0 C-N-CA 120.89 -0.671 . . . . 0.0 113.006 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.16 128.04 34.97 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.87 0.335 . . . . 0.0 111.218 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 28.2 t -83.24 135.02 25.64 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.411 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 24.8 t -104.84 124.44 59.48 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.99 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -91.7 -45.69 8.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.822 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -133.42 156.7 47.21 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.386 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.2 mt -139.56 128.02 27.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.509 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.5 t30 55.21 30.58 14.84 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.305 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.44 34.31 36.45 Favored Glycine 0 C--N 1.337 0.622 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.926 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.81 144.63 28.32 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.652 0.263 . . . . 0.0 110.863 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.9 t -73.19 144.38 12.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.791 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.428 ' HB ' HG13 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -128.51 20.79 6.12 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.649 -179.834 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.98 150.3 28.98 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 120.937 0.399 . . . . 0.0 110.815 179.398 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 50.52 19.49 0.58 Allowed 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.302 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.2 tpp -99.26 162.42 13.06 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.721 0.296 . . . . 0.0 110.571 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 m -72.81 143.57 47.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.658 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 66.7 tp -54.8 -32.96 60.93 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.732 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -37.32 86.29 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.531 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -58.4 -42.32 86.86 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.48 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.05 -37.47 71.85 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.4 mttm -64.21 -36.66 84.79 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.655 179.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.11 -43.37 98.99 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.757 179.574 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.88 -37.76 69.24 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.375 179.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 33.5 mt -72.85 -32.44 40.23 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.804 179.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -73.69 -43.14 60.11 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.776 0.322 . . . . 0.0 110.736 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 -67.73 -23.02 65.21 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.706 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 73.6 m -54.73 111.71 0.87 Allowed 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 120.762 0.315 . . . . 0.0 110.917 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 23.3 mtmm -63.93 -33.09 74.93 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.422 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -174.82 -62.05 0.05 OUTLIER Glycine 0 C--N 1.334 0.427 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.046 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.6 pttt -83.73 128.34 34.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.817 0.341 . . . . 0.0 111.348 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.405 HD12 ' CE2' ' B' ' 14' ' ' TYR . 0.6 OUTLIER -115.84 133.88 55.57 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -125.58 105.77 9.27 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.067 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -114.0 128.76 56.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.804 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 18.1 t -97.81 131.78 44.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.753 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.419 ' CG2' ' HB ' ' B' ' 1' ' ' THR . 29.3 m -108.37 173.77 1.77 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.454 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 . . . . . 0 C--O 1.232 0.15 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 -179.864 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 1' ' ' THR . . . . . 0.419 ' HB ' ' CG2' ' A' ' 76' ' ' VAL . 61.9 m . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 120.672 0.273 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.43 142.13 42.58 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.315 -179.565 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 22.2 t -121.69 111.15 29.8 Favored 'Isoleucine or valine' 0 C--O 1.231 0.118 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.929 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 3.9 m -110.36 122.22 47.17 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.998 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 86.1 mt -121.23 156.67 31.95 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.845 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 18.6 t -133.43 102.07 4.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.867 0.365 . . . . 0.0 111.154 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.46 ' HB2' ' CE1' ' B' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.205 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.326 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 . . . . . 0 C--O 1.233 0.207 0 CA-C-O 120.774 0.321 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . 0.46 ' CE1' ' HB2' ' B' ' 7' ' ' LYS . 48.0 m-85 -60.3 -36.23 77.4 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.161 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.39 32.3 72.28 Favored Glycine 0 C--N 1.335 0.498 0 C-N-CA 120.993 -0.623 . . . . 0.0 112.848 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 2.8 pp -102.32 118.39 36.78 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.844 0.354 . . . . 0.0 110.781 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.436 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -75.79 109.56 9.49 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.481 179.867 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -95.14 136.18 35.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.242 -179.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -137.36 167.15 22.17 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.108 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 59.8 p -132.96 141.3 48.25 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.823 0.344 . . . . 0.0 111.634 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' HIS . . . . . 0.401 ' HD2' ' CE1' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -105.24 179.36 4.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.767 179.647 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 32.0 mm -132.31 140.08 48.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.412 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.419 ' CE1' ' HD2' ' A' ' 21' ' ' HIS . 12.9 p90 -149.42 177.47 9.67 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.369 179.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.2 t -101.32 113.2 36.77 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.074 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.473 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 4.0 tptt -64.06 -35.58 81.2 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.239 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -175.38 172.12 2.74 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.815 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 3.8 mp -126.53 133.08 69.49 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.956 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 69.5 m -76.82 157.3 31.63 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.007 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -84.18 152.24 24.37 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.116 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 59.8 32.78 21.5 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.258 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 52.1 p -114.33 174.26 6.04 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.779 0.323 . . . . 0.0 111.263 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 12.7 mt -61.26 -42.08 98.03 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.053 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.05 -43.26 99.15 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.655 0.264 . . . . 0.0 110.869 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.9 -36.78 78.44 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.986 179.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 -71.71 -43.86 65.19 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.631 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.07 -37.26 83.69 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.997 179.676 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.83 38.78 89.67 Favored Glycine 0 C--N 1.334 0.44 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.813 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 75.7 m-80 -125.67 4.72 7.48 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 20.8 mm -127.16 108.35 18.45 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-O 120.704 0.287 . . . . 0.0 110.964 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.32 152.72 21.22 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.806 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -59.2 119.61 7.67 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.954 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.5 -11.8 46.97 Favored Glycine 0 CA--C 1.523 0.552 0 C-N-CA 120.783 -0.722 . . . . 0.0 113.181 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.81 123.85 15.57 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.969 0.385 . . . . 0.0 111.065 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.3 t -85.84 119.51 34.32 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 23.5 t -88.15 138.6 18.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.262 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.3 pp -110.24 -37.52 5.52 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.338 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 2.9 mtpp -142.21 155.64 45.28 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.924 0.392 . . . . 0.0 111.309 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 35.3 mt -140.58 122.66 15.34 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.468 179.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 56.58 36.06 27.02 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.164 -179.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.27 31.41 51.9 Favored Glycine 0 CA--C 1.523 0.562 0 C-N-CA 120.948 -0.644 . . . . 0.0 113.264 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.14 132.66 17.7 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 117.014 0.407 . . . . 0.0 110.855 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 29.5 t -68.7 136.93 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.712 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.34 18.12 21.38 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.873 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -80.83 151.79 28.53 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 179.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 1.9 p30 61.28 7.11 1.56 Allowed 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.468 -179.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 2.1 ttm -97.32 148.4 23.19 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.712 0.291 . . . . 0.0 110.531 179.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.3 146.05 52.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.629 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 60.4 tp -53.66 -32.19 50.61 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.816 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.33 -40.21 81.68 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.807 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -57.46 -37.32 72.67 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.407 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.93 -38.08 81.35 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.105 178.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' B' ' 63' ' ' THR . 0.0 OUTLIER -61.71 -34.19 75.35 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.243 178.813 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' THR . . . . . 0.446 ' N ' ' HG3' ' B' ' 62' ' ' LYS . 0.2 OUTLIER -70.52 -41.94 71.9 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.995 179.691 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.7 mt -55.38 -34.73 64.59 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.574 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 22.2 mt -70.7 -32.31 48.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.778 179.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -76.45 -39.77 52.42 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 120.836 0.351 . . . . 0.0 110.955 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -63.83 -26.03 68.44 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.417 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 44.1 t -47.73 113.24 0.67 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.805 0.336 . . . . 0.0 111.507 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.64 79.46 9.35 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.588 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.15 -77.7 2.09 Favored Glycine 0 C--N 1.333 0.369 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.753 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.7 mtmm -84.18 139.77 32.18 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-O 120.792 0.33 . . . . 0.0 111.274 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . 0.467 ' HB2' ' CE1' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -119.53 115.94 25.06 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.654 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.39 115.52 29.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.504 179.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -124.22 126.54 46.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.144 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 14.0 t -106.99 128.46 61.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.655 179.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 28.9 m -131.67 177.26 7.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.396 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.464 0.232 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.955 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.465 0.295 0 CA-C-O 120.892 0.377 . . . . 0.0 111.312 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 23.5 t -116.21 127.21 73.87 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.936 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.37 114.55 16.99 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.001 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.42 HD22 HD13 ' B' ' 39' ' ' ILE . 3.4 mm? -110.19 152.87 25.54 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.959 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.2 t -119.8 99.43 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.056 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.537 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.464 0.232 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.141 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 . . . . . 0 N--CA 1.455 -0.219 0 CA-C-O 120.693 0.282 . . . . 0.0 110.681 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.537 ' CZ ' ' HB2' ' A' ' 7' ' ' LYS . 60.3 m-85 -57.93 -40.85 81.47 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.265 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.97 42.57 77.27 Favored Glycine 0 C--N 1.334 0.432 0 C-N-CA 120.997 -0.621 . . . . 0.0 113.09 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 pp -128.41 124.58 36.63 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.892 0.377 . . . . 0.0 110.781 179.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.444 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 2.6 mmm180 -81.7 115.61 21.03 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.746 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.413 HD11 ' CG2' ' B' ' 22' ' ' ILE . 0.2 OUTLIER -93.97 139.51 30.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.909 0.385 . . . . 0.0 111.405 -179.769 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.407 ' CB ' ' CZ ' ' B' ' 23' ' ' PHE . . . -140.37 172.22 13.04 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.935 179.506 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 99.2 p -132.16 145.69 51.53 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.888 0.375 . . . . 0.0 111.78 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -117.61 177.84 4.61 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.147 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.441 HG13 ' HB ' ' A' ' 53' ' ' THR . 29.0 mm -131.94 141.68 44.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.239 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -149.64 178.57 8.73 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.376 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.2 t -102.54 124.78 56.74 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.112 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.2 tptt -78.3 -36.54 46.43 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.389 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -173.4 171.11 4.05 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.671 0.272 . . . . 0.0 111.453 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.5 mm -121.75 147.49 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.981 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.0 t -90.14 148.78 22.77 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.899 0.38 . . . . 0.0 111.211 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.3 mp0 -83.04 146.17 28.88 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.444 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.3 t0 57.92 34.15 24.0 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.987 -179.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.9 p -113.98 -178.98 3.51 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.821 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.476 HD13 ' HA ' ' B' ' 7' ' ' LYS . 13.8 mt -60.23 -41.09 92.38 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.18 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.23 -44.64 88.31 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.186 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.77 -35.8 77.53 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.281 179.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.1 ttt85 -73.73 -39.89 63.96 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.095 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.17 -35.28 56.05 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.498 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.32 49.09 59.28 Favored Glycine 0 C--N 1.334 0.454 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.79 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -126.5 -46.8 1.59 Allowed 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.728 0.264 . . . . 0.0 111.602 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.3 mp -85.4 140.95 15.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-O 120.682 0.277 . . . . 0.0 111.314 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -136.7 169.2 18.12 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.171 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -72.84 118.47 15.81 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.793 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.77 -9.87 48.25 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 120.917 -0.658 . . . . 0.0 113.268 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.38 140.01 46.83 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 117.042 0.421 . . . . 0.0 110.814 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 28.2 t -104.35 105.57 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.189 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.9 t -86.19 133.21 30.26 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -119.05 -8.88 10.13 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 179.599 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.404 ' N ' HD12 ' A' ' 46' ' ' LEU . 1.5 mttt -153.76 144.35 22.47 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.697 0.284 . . . . 0.0 110.957 179.182 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 21.0 mt -135.29 118.73 24.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.547 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 45.8 m-20 56.96 34.75 25.4 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.103 -179.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.59 36.24 30.26 Favored Glycine 0 C--N 1.336 0.581 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.959 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.17 125.56 13.14 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.698 0.285 . . . . 0.0 110.732 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 19.2 t -70.88 134.52 29.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.023 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.441 ' HB ' HG13 ' A' ' 22' ' ' ILE . 0.6 OUTLIER -113.35 37.26 3.25 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.301 179.823 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -95.23 143.45 26.62 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.085 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.3 m120 67.3 9.89 7.32 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.939 -179.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -100.58 162.76 12.71 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.781 0.324 . . . . 0.0 111.291 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.5 m -73.91 147.15 43.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.609 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.7 tp -55.08 -31.13 60.96 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.801 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.08 -40.02 94.42 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.16 -43.07 87.22 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.781 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.55 -39.23 76.18 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.557 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.1 mtpt -64.16 -39.23 93.57 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.368 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.85 -40.76 98.44 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.209 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.89 -35.04 66.09 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.691 0.282 . . . . 0.0 110.651 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 24.4 mt -74.17 -31.41 29.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.668 179.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -74.75 -41.51 59.96 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.91 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -64.6 -25.5 68.0 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.357 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.453 ' CB ' ' HG ' ' A' ' 72' ' ' LEU . 58.1 m -62.99 106.84 0.89 Allowed 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.848 0.356 . . . . 0.0 111.235 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.11 80.86 2.03 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.741 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 116.15 -94.81 0.66 Allowed Glycine 0 C--N 1.332 0.312 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.607 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 48.2 mttm -87.82 142.27 27.94 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 120.695 0.283 . . . . 0.0 111.181 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.453 ' HG ' ' CB ' ' A' ' 68' ' ' SER . 0.5 OUTLIER -120.77 136.83 54.78 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 179.879 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -119.46 124.62 46.93 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.697 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 8.0 mtm -132.73 122.2 24.21 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.048 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.2 t -103.57 133.06 48.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.956 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 29.4 m -129.65 177.19 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.394 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 . . . . . 0 CA--C 1.53 0.204 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.962 179.454 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 13.8 p . . . . . 0 N--CA 1.493 1.704 0 CA-C-O 120.691 0.281 . . . . 0.0 111.709 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 42.5 mttt -125.81 128.15 47.23 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.779 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 33.5 t -103.5 129.7 55.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.012 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 29.2 m -127.8 108.85 11.07 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.8 0.333 . . . . 0.0 110.933 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 46.6 mt -102.85 153.67 19.96 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.641 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 15.6 t -125.99 99.94 6.32 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-O 120.835 0.35 . . . . 0.0 111.247 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.476 ' HA ' HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.189 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.917 0.389 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . 0.418 ' CE1' ' HB2' ' A' ' 72' ' ' LEU . 69.9 m-85 -74.36 -31.76 62.52 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.118 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.73 45.21 96.23 Favored Glycine 0 C--N 1.335 0.51 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.955 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 pp -115.37 114.66 25.41 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.002 0.43 . . . . 0.0 110.777 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 2.2 ttm-85 -74.22 111.6 9.56 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.59 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -97.4 134.23 40.93 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.611 -179.276 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -133.34 165.06 25.7 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.562 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 84.1 p -126.13 148.73 49.32 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 121.081 0.467 . . . . 0.0 111.765 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -119.38 179.09 4.3 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.792 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . 0.419 HG13 ' HB ' ' B' ' 53' ' ' THR . 21.8 mm -132.68 141.9 43.85 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.12 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.407 ' CZ ' ' CB ' ' A' ' 19' ' ' ALA . 12.8 p90 -149.5 175.48 11.46 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.965 179.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 42.6 t -104.8 116.08 47.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.991 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.444 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 1.7 tptm -56.49 -46.97 80.22 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.415 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -171.98 172.68 4.65 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.892 0.377 . . . . 0.0 111.383 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 5.7 mm -114.91 141.4 31.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.454 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 22.0 p -93.5 138.28 31.95 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.732 0.301 . . . . 0.0 110.539 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -69.78 151.57 45.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.291 -179.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 58.91 45.43 15.17 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.183 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 2.7 m -134.55 175.07 9.87 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.218 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' A' ' 7' ' ' LYS . 42.7 mt -55.43 -43.75 75.65 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.55 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.91 -48.0 83.47 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.631 0.253 . . . . 0.0 111.218 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.68 -35.39 80.4 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.215 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 -75.94 -41.05 52.82 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.32 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.16 -34.71 75.39 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.539 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.03 43.71 80.64 Favored Glycine 0 C--N 1.334 0.444 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.932 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -123.55 -57.6 1.64 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.601 0.239 . . . . 0.0 111.06 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . 0.42 HD13 HD22 ' A' ' 5' ' ' LEU . 3.9 mt -68.9 134.96 29.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -121.34 171.15 8.96 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.418 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -81.04 99.95 8.73 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.057 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.27 6.36 36.44 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 121.017 -0.611 . . . . 0.0 114.124 179.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -65.18 142.06 58.46 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 117.548 0.674 . . . . 0.0 110.803 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.9 t -91.31 116.17 31.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.072 -179.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 20.8 t -94.04 137.54 22.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.229 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.2 mt -112.64 -39.86 4.21 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.072 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -135.41 153.36 51.82 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.862 0.363 . . . . 0.0 111.558 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 29.7 mt -139.24 124.87 22.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.592 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 53.28 35.04 19.13 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.356 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.42 33.75 42.66 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.836 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.81 133.86 20.36 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.729 0.264 . . . . 0.0 110.665 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 13.2 t -76.35 136.09 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.958 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' THR . . . . . 0.419 ' HB ' HG13 ' B' ' 22' ' ' ILE . 0.7 OUTLIER -116.72 29.86 7.68 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.497 179.766 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -85.68 146.45 26.83 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 178.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 4.9 m120 63.86 10.94 5.58 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.122 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -100.09 164.34 12.02 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-O 120.745 0.307 . . . . 0.0 110.906 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 43.4 p -77.03 153.27 34.62 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.557 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 21.2 tp -57.13 -29.29 63.44 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.674 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.33 -39.98 94.99 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.845 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -57.9 -47.98 81.22 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.837 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.8 -38.39 75.45 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.783 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -33.2 75.4 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.462 179.312 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.96 -43.34 92.99 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.99 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 2.6 mt -54.69 -37.32 65.65 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.893 0.378 . . . . 0.0 110.423 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 27.7 mt -75.5 -30.91 22.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.937 179.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -75.69 -47.74 24.94 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.691 0.282 . . . . 0.0 110.804 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.5 -27.82 69.4 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.558 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 6.6 t -58.09 114.17 2.24 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.691 0.282 . . . . 0.0 111.189 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt -84.47 -33.6 23.59 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.198 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -139.31 -111.31 0.96 Allowed Glycine 0 C--N 1.337 0.619 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.815 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 25.8 ttmt -61.81 145.18 53.39 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.884 0.373 . . . . 0.0 111.558 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -133.07 131.4 40.55 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.002 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.08 145.13 30.93 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.564 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 10.2 mtm -149.24 121.61 8.45 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.823 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 21.9 t -99.17 120.84 49.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 33.8 m -118.97 160.75 18.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.637 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.233 0.223 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.01 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.151 0 CA-C-O 120.899 0.38 . . . . 0.0 111.178 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.3 t -103.71 124.09 57.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.81 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.82 113.22 15.66 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.846 0.355 . . . . 0.0 111.058 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -107.08 159.47 16.28 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.401 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.6 t -139.49 101.26 1.45 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-O 120.813 0.34 . . . . 0.0 111.285 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.453 ' CG ' ' HA2' ' B' ' 70' ' ' GLY . 15.9 ptpt . . . . . 0 C--N 1.332 -0.189 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.934 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 . . . . . 0 CA--C 1.532 0.277 0 CA-C-O 120.818 0.342 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.484 ' CZ ' ' HB2' ' B' ' 72' ' ' LEU . 67.3 m-85 -72.52 -38.96 67.93 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.454 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.15 49.51 74.91 Favored Glycine 0 C--N 1.335 0.506 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.526 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 pp -121.97 132.09 54.35 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.774 0.321 . . . . 0.0 110.88 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.452 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 1.2 mmt180 -90.0 114.21 26.02 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -103.29 133.89 47.6 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.42 ' HB2' ' CZ ' ' B' ' 23' ' ' PHE . . . -138.34 165.14 27.52 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.167 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 88.6 p -131.82 151.32 51.76 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.204 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.463 ' HD2' ' CE1' ' B' ' 23' ' ' PHE . 0.2 OUTLIER -115.9 177.84 4.53 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 179.857 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.4 mm -133.16 114.19 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.71 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.469 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 19.7 p90 -118.35 -175.98 2.98 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 120.814 0.34 . . . . 0.0 111.279 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -95.65 118.13 41.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 120.885 0.374 . . . . 0.0 111.596 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.476 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 23.3 tptm -74.97 -38.08 61.77 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.139 179.489 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -175.02 174.02 2.55 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.895 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.2 mp -139.89 136.37 38.69 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.754 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.9 m -87.76 150.8 23.36 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.236 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -79.74 161.17 25.91 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.828 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 59.56 28.0 17.31 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.174 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.2 m -118.15 169.68 9.49 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.848 0.356 . . . . 0.0 110.966 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.422 HD11 ' CD1' ' B' ' 14' ' ' TYR . 5.3 mt -59.14 -38.49 79.8 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.177 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.95 -45.12 95.08 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.569 0.223 . . . . 0.0 111.01 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.6 -39.43 88.37 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.903 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.34 -39.99 67.72 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.965 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -69.31 -36.83 77.39 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.049 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.72 28.78 73.95 Favored Glycine 0 C--N 1.334 0.434 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.669 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.409 ' HB3' HG21 ' B' ' 3' ' ' VAL . 4.2 m-80 -108.75 -23.49 11.75 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.758 0.279 . . . . 0.0 111.739 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -108.36 100.89 11.69 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-O 120.758 0.313 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.16 152.86 23.99 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.666 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -58.88 128.62 38.11 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.832 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.34 -23.97 31.55 Favored Glycine 0 CA--C 1.522 0.521 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.929 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.95 132.42 53.97 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.838 0.319 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 20.2 t -96.93 122.71 48.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.273 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.5 t -94.54 144.74 9.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.05 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.8 mp -119.19 -36.98 3.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.497 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.13 150.08 50.67 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 121.028 0.442 . . . . 0.0 111.876 -179.334 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 8.9 mm -131.23 110.03 17.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.396 179.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 56.54 35.26 25.75 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.404 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.17 25.84 42.73 Favored Glycine 0 CA--C 1.521 0.452 0 C-N-CA 120.865 -0.683 . . . . 0.0 113.131 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -140.32 122.55 15.86 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.854 0.327 . . . . 0.0 110.46 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.7 t -67.45 133.85 30.98 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.137 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.056 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -112.93 36.45 3.48 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.169 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.91 142.05 28.07 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.23 179.249 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.3 m120 65.62 12.18 8.05 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.863 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -98.4 163.73 12.58 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.899 0.38 . . . . 0.0 110.994 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.3 p -76.99 151.48 35.62 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.8 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.5 tp -58.66 -27.74 65.05 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.913 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.37 -40.53 81.4 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.365 179.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -55.52 -39.91 71.14 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.591 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.63 -41.09 85.15 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.008 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -60.93 -38.48 85.98 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.971 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.74 -46.65 84.19 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.195 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.3 mt -56.89 -36.49 70.19 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.558 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 28.2 mt -74.05 -31.43 30.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.493 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -71.7 -44.82 63.54 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.922 179.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -61.4 -28.46 69.26 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.46 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.433 ' CB ' ' HG ' ' A' ' 72' ' ' LEU . 43.1 m -62.93 90.51 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 120.846 0.355 . . . . 0.0 110.959 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.22 -27.58 64.59 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.197 -179.418 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -143.08 -79.13 0.05 OUTLIER Glycine 0 C--N 1.335 0.493 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.936 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.57 148.18 27.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.823 0.344 . . . . 0.0 111.276 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.433 ' HG ' ' CB ' ' A' ' 68' ' ' SER . 0.5 OUTLIER -130.39 139.82 50.62 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.694 179.917 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -126.7 132.91 51.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.854 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.6 mtp -142.67 129.45 20.47 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.856 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 22.0 t -100.77 125.54 54.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.791 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 31.3 m -113.57 179.51 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.65 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.532 0.261 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.277 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 120.79 0.329 . . . . 0.0 111.327 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -134.59 137.08 43.43 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' VAL . . . . . 0.409 HG21 ' HB3' ' A' ' 38' ' ' ASN . 26.2 t -118.66 126.05 74.89 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 3.1 m -128.87 106.11 8.68 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.893 0.378 . . . . 0.0 110.939 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 82.9 mt -96.32 146.31 24.84 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.779 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 23.1 t -120.88 101.12 10.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.153 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt . . . . . 0 C--O 1.233 0.192 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.398 179.583 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.743 0.306 . . . . 0.0 110.794 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . 0.427 ' CZ ' HD12 ' A' ' 72' ' ' LEU . 69.6 m-85 -57.93 -36.89 73.13 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.197 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.02 45.54 95.07 Favored Glycine 0 C--N 1.337 0.606 0 C-N-CA 121.124 -0.56 . . . . 0.0 112.756 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 pp -120.81 128.06 52.51 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-O 120.934 0.397 . . . . 0.0 111.185 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.476 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -101.56 137.74 39.48 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.339 179.663 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -120.4 169.19 10.54 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 121.688 0.756 . . . . 0.0 111.77 179.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 23' ' ' PHE . . . -157.67 160.73 38.3 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.258 -1.337 . . . . 0.0 109.756 178.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 71.6 p -117.62 143.4 46.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.14 0.495 . . . . 0.0 111.997 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' HIS . . . . . 0.434 ' HD2' ' CE1' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -113.25 179.8 3.86 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.29 179.561 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . 0.403 HG13 ' HB ' ' B' ' 53' ' ' THR . 28.3 mm -132.63 138.11 52.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.684 0.278 . . . . 0.0 111.177 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.463 ' CE1' ' HD2' ' A' ' 21' ' ' HIS . 10.9 p90 -148.91 174.65 12.02 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.116 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.2 t -106.48 115.08 47.3 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.13 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.025 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.452 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 2.4 tptm -63.06 -41.05 99.36 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.235 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.41 ' CG ' ' HG3' ' A' ' 17' ' ' ARG . 11.0 pt-20 -179.25 172.95 1.17 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.059 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 3.0 mp -124.04 140.99 45.77 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.945 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 15.6 m -72.13 152.85 42.03 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.221 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -76.37 137.56 39.88 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.592 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.03 32.09 21.51 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.288 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.8 170.67 8.01 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.588 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 67.1 mt -55.42 -42.8 74.63 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.55 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.88 -51.9 59.44 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.383 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.52 -34.74 78.93 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.059 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 5.1 ttp85 -74.05 -41.79 61.24 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.99 -31.16 70.66 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.291 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.98 34.3 70.81 Favored Glycine 0 C--N 1.334 0.434 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.696 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -112.76 -38.39 4.58 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.769 0.285 . . . . 0.0 111.453 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 22.6 mt -93.18 135.26 28.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-O 120.709 0.29 . . . . 0.0 111.176 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -128.34 152.83 47.69 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -63.62 121.16 13.23 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.643 179.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.39 -16.94 54.68 Favored Glycine 0 CA--C 1.523 0.564 0 C-N-CA 120.726 -0.75 . . . . 0.0 113.176 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.46 122.83 10.5 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.907 0.354 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 24.2 t -83.76 107.92 15.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 21.2 t -76.54 136.19 25.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.144 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.36 -42.4 4.14 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.953 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -137.39 151.06 48.15 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.809 0.337 . . . . 0.0 111.438 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 21.3 mt -132.64 121.54 45.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.32 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 58.46 33.61 23.26 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.018 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.25 33.93 38.47 Favored Glycine 0 CA--C 1.523 0.556 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.764 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -146.06 131.9 19.08 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.782 0.291 . . . . 0.0 110.964 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 17.4 t -64.72 146.29 13.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.836 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' THR . . . . . 0.403 ' HB ' HG13 ' B' ' 22' ' ' ILE . 1.7 m -128.55 24.46 5.8 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.543 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -93.33 145.49 24.42 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.712 0.291 . . . . 0.0 110.289 179.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 2.2 m120 66.0 8.44 5.42 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 115.881 -0.599 . . . . 0.0 112.238 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.28 168.0 9.38 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.815 0.34 . . . . 0.0 111.028 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 51.5 p -74.88 146.22 42.07 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.633 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 9.2 tp -56.78 -31.4 64.6 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.684 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.32 -38.75 84.66 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.657 179.599 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -60.23 -43.32 96.15 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.8 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.46 -36.65 78.75 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.628 179.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -68.05 -32.76 73.33 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.02 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.33 -47.0 87.05 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.985 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 6.1 mt -58.81 -35.2 72.48 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.74 0.305 . . . . 0.0 110.421 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 33.1 mt -74.99 -27.72 20.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.664 179.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.83 -39.69 34.83 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.815 0.34 . . . . 0.0 110.86 179.461 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 7.9 ttp-105 -82.3 -3.94 56.25 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.073 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' SER . . . . . 0.445 ' CB ' ' HG ' ' B' ' 72' ' ' LEU . 89.3 p -55.73 113.94 1.68 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.889 0.376 . . . . 0.0 111.22 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 6.4 mtmt -85.38 65.0 8.97 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.154 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . 0.453 ' HA2' ' CG ' ' A' ' 7' ' ' LYS . . . 86.73 -65.42 3.77 Favored Glycine 0 C--N 1.335 0.504 0 C-N-CA 121.125 -0.559 . . . . 0.0 112.771 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 12.6 pttt -89.61 118.0 28.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.929 0.395 . . . . 0.0 111.712 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . 0.484 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 0.6 OUTLIER -103.05 147.09 27.4 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.002 179.611 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -125.49 129.76 50.42 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.433 179.307 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -143.48 119.82 10.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.71 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 21.7 t -104.43 118.32 51.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.11 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 9.6 m -109.04 158.35 8.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.383 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 . . . . . 0 CA--C 1.53 0.174 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.157 179.851 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.676 0.274 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.47 HG13 ' HB3' ' B' ' 38' ' ' ASN . 22.7 t -117.2 126.58 74.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.935 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.85 112.18 13.86 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.832 0.348 . . . . 0.0 110.942 179.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.428 ' CD2' HG12 ' A' ' 3' ' ' VAL . 3.7 mm? -102.08 155.73 18.0 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.78 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 18.1 t -125.3 98.72 5.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-O 120.765 0.317 . . . . 0.0 110.87 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.504 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.205 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.059 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.233 0.23 0 CA-C-O 120.87 0.367 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.504 ' CZ ' ' HB2' ' A' ' 7' ' ' LYS . 36.3 m-85 -67.79 -44.89 76.33 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.526 -179.66 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.0 37.54 94.76 Favored Glycine 0 C--N 1.334 0.458 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.958 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.6 pp -118.83 117.03 27.77 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.968 0.413 . . . . 0.0 110.737 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.518 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -77.73 105.1 8.67 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.788 -179.775 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.86 141.79 28.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.298 -179.722 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.427 ' HB3' ' HB2' ' B' ' 25' ' ' LYS . . . -143.09 172.9 12.09 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.093 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.1 p -131.46 145.04 51.6 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.948 0.404 . . . . 0.0 111.435 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -109.94 171.66 7.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.858 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 27.9 mm -133.8 133.9 56.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.87 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.415 ' CE1' ' HD2' ' B' ' 21' ' ' HIS . 10.2 p90 -145.5 177.98 8.45 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.181 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 50.4 t -106.02 113.22 42.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.963 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.42 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 0.5 OUTLIER -55.8 -42.88 76.29 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.449 179.469 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -173.2 174.1 3.46 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.831 0.348 . . . . 0.0 111.255 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.2 mm -110.92 134.46 53.14 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.818 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.25 147.33 28.99 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.908 0.385 . . . . 0.0 111.082 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.09 148.56 41.76 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.076 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 56.7 37.77 29.04 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.922 -179.677 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.414 ' CB ' ' HA3' ' B' ' 15' ' ' GLY . 41.4 m -117.3 170.03 9.01 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.193 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.6 mt -59.4 -40.84 87.92 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.347 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.34 -38.58 77.47 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.652 0.263 . . . . 0.0 111.13 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.76 -34.99 77.9 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.254 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.83 -44.14 23.67 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.059 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -62.23 -38.85 90.8 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.464 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.26 39.68 71.1 Favored Glycine 0 C--N 1.334 0.453 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.749 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -122.93 -50.5 1.94 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.672 0.273 . . . . 0.0 110.93 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 23.3 mt -74.11 119.14 20.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.587 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -108.51 171.13 7.59 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.279 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.35 102.15 5.8 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.99 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.76 6.27 37.91 Favored Glycine 0 CA--C 1.523 0.57 0 C-N-CA 121.141 -0.552 . . . . 0.0 114.053 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -61.64 139.78 58.24 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 117.511 0.656 . . . . 0.0 110.958 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.0 t -95.07 111.52 25.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.805 -179.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.3 t -81.95 138.25 19.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-O 120.894 0.378 . . . . 0.0 111.244 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.9 mp -109.23 -41.02 4.77 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.187 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.0 mttp -142.89 161.92 36.84 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.905 0.383 . . . . 0.0 112.019 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 27.9 mt -139.81 121.57 15.86 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.757 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 20.0 p30 43.01 38.06 1.33 Allowed 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.969 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 83.95 40.3 8.82 Favored Glycine 0 C--N 1.336 0.543 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.788 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.9 m -147.53 131.68 17.36 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.693 0.247 . . . . 0.0 110.499 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.401 ' O ' ' HE1' ' A' ' 56' ' ' MET . 15.3 t -63.39 139.33 21.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 120.618 0.247 . . . . 0.0 110.964 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.19 40.68 2.45 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.084 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -121.01 143.28 49.13 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 178.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 69.25 6.42 5.66 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.464 -178.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.401 ' HE1' ' O ' ' A' ' 52' ' ' VAL . 2.2 ttm -93.19 146.75 23.45 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.712 0.292 . . . . 0.0 110.85 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.0 t -69.93 146.95 50.81 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.8 179.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 60.3 tp -55.98 -32.19 63.7 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.825 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.441 ' O ' ' HG2' ' A' ' 62' ' ' LYS . 0.3 OUTLIER -73.01 -46.3 52.89 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.655 179.696 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -55.49 -35.56 65.7 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 120.709 0.29 . . . . 0.0 110.469 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.91 -35.27 80.62 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.693 179.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' A' ' 59' ' ' THR . 1.1 ptmt -64.13 -35.11 79.71 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.397 179.145 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.84 -41.93 91.13 Favored 'General case' 0 C--O 1.23 0.064 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.02 179.519 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.04 -35.65 64.7 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.601 179.58 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 36.7 mt -69.24 -31.51 50.11 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 179.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -77.17 -38.89 50.76 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.794 0.33 . . . . 0.0 110.632 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -61.99 -27.87 69.17 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.592 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 80.3 p -54.24 109.42 0.48 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 121.014 0.435 . . . . 0.0 111.215 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -61.48 -37.74 84.74 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.28 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -162.02 -67.99 0.02 OUTLIER Glycine 0 C--N 1.335 0.482 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.457 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -81.56 133.02 35.33 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.848 0.356 . . . . 0.0 110.785 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -118.24 117.73 29.92 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.956 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -103.82 130.33 51.36 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.609 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 40.1 mtm -142.81 129.03 19.85 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.614 -0.267 . . . . 0.0 110.99 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.8 t -99.05 126.4 52.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.715 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.3 m -113.97 168.34 6.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.928 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.208 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.005 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 79.3 p . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 120.884 0.373 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.97 125.82 47.18 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.429 -179.578 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 23.5 t -103.92 111.14 32.43 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.608 179.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 36.7 m -113.17 105.78 13.86 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.798 0.332 . . . . 0.0 110.655 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 26.6 mt -105.22 159.18 16.07 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.875 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 19.7 t -133.19 101.71 4.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.674 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.513 ' HB2' ' CE1' ' B' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.216 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.463 -179.661 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.45 -0.456 0 CA-C-O 120.718 0.294 . . . . 0.0 110.755 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . 0.513 ' CE1' ' HB2' ' B' ' 7' ' ' LYS . 82.5 m-85 -72.11 -28.2 63.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.237 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . 0.414 ' HA3' ' CB ' ' A' ' 31' ' ' SER . . . 61.3 45.7 95.94 Favored Glycine 0 C--N 1.336 0.548 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.904 179.572 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 pp -120.87 114.01 20.96 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.0 0.428 . . . . 0.0 110.687 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.42 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -71.55 109.34 5.43 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.249 179.832 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -93.54 137.95 32.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.048 0.451 . . . . 0.0 111.79 -179.133 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.405 ' CB ' ' CZ ' ' A' ' 23' ' ' PHE . . . -136.08 176.18 8.93 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.742 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 87.6 p -137.64 148.94 46.19 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.011 0.434 . . . . 0.0 111.934 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' HIS . . . . . 0.415 ' HD2' ' CE1' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -122.74 177.91 5.25 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.815 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . 0.424 HG13 ' HB ' ' B' ' 53' ' ' THR . 22.7 mm -131.81 137.9 53.97 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-O 120.76 0.314 . . . . 0.0 111.244 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.402 ' CZ ' ' CB ' ' A' ' 19' ' ' ALA . 12.7 p90 -149.28 -178.14 6.23 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.39 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 15.2 t -107.83 113.14 42.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.747 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.518 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 12.5 tptt -60.98 -40.73 94.57 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.385 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.413 ' HA ' ' HG2' ' B' ' 41' ' ' GLU . 0.4 OUTLIER -173.1 174.67 3.38 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.757 0.313 . . . . 0.0 111.353 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . 0.44 HG21 HD13 ' B' ' 27' ' ' ILE . 7.9 mm -123.58 132.97 70.47 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.63 179.581 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 3.6 m -81.61 136.84 35.54 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.759 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -67.15 146.41 54.27 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.967 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 57.55 48.32 14.56 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 121.03 0.443 . . . . 0.0 110.688 -179.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 24.2 m -126.52 174.82 8.36 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.959 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.423 ' CD1' ' HA ' ' A' ' 7' ' ' LYS . 17.1 mt -60.81 -36.52 79.25 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.385 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.75 -36.25 80.2 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 120.517 0.199 . . . . 0.0 111.165 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.87 -51.1 52.02 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.133 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.18 -38.77 88.85 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.955 179.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -62.83 -37.08 85.37 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.077 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.69 40.5 85.53 Favored Glycine 0 C--N 1.334 0.459 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.77 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.47 ' HB3' HG13 ' A' ' 3' ' ' VAL . 4.8 m-80 -127.85 -49.26 1.36 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.665 0.232 . . . . 0.0 111.159 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . 0.409 HG22 HD13 ' B' ' 39' ' ' ILE . 38.6 mm -79.77 119.61 29.51 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.053 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -121.74 169.53 10.64 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.987 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . 0.413 ' HG2' ' HA ' ' B' ' 26' ' ' GLU . 10.1 mt-10 -75.41 119.43 19.49 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.778 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.89 -13.93 52.86 Favored Glycine 0 CA--C 1.523 0.568 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.949 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.33 130.45 39.06 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.803 0.302 . . . . 0.0 111.173 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 22.1 t -96.93 97.79 6.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.719 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 30.0 t -80.12 111.3 16.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.163 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.4 -38.79 34.02 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.487 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -130.87 148.51 52.65 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.733 0.302 . . . . 0.0 111.382 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . 0.421 HG21 HD12 ' B' ' 48' ' ' ILE . 36.1 mt -136.18 121.13 26.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.599 179.539 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 59.64 37.01 22.63 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.276 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.77 27.47 66.99 Favored Glycine 0 C--N 1.336 0.575 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.732 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.13 125.42 14.68 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.503 0.192 . . . . 0.0 110.553 -179.527 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 20.6 t -73.37 134.02 30.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.475 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' THR . . . . . 0.424 ' HB ' HG13 ' B' ' 22' ' ' ILE . 0.8 OUTLIER -110.38 34.73 3.76 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.943 179.836 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -88.42 143.42 27.0 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.024 179.065 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 6.0 m120 62.22 16.56 8.5 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.743 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -108.95 169.73 8.49 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.751 0.31 . . . . 0.0 111.129 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.3 t -74.27 142.68 45.25 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.583 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 44.6 tp -58.31 -33.09 69.09 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.711 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' THR . . . . . 0.448 ' O ' ' HG2' ' B' ' 62' ' ' LYS . 0.2 OUTLIER -63.55 -41.6 98.42 Favored 'General case' 0 N--CA 1.46 0.045 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.761 179.63 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -55.75 -36.92 67.82 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 120.64 0.257 . . . . 0.0 110.482 179.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.39 -35.15 80.07 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.805 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' B' ' 59' ' ' THR . 1.1 pttp -64.72 -34.89 79.39 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.389 179.179 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.07 -40.97 97.43 Favored 'General case' 0 N--CA 1.46 0.049 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.042 179.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 6.7 mt -55.23 -39.67 69.97 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.514 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 12.7 mt -69.23 -32.49 53.95 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.858 179.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -76.36 -41.03 49.48 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.753 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 4.5 ttt85 -60.22 -31.04 69.8 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.363 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 12.0 t -54.15 107.54 0.28 Allowed 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.872 0.368 . . . . 0.0 111.287 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.58 -33.03 66.46 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.894 179.728 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -143.76 -85.06 0.07 OUTLIER Glycine 0 C--N 1.337 0.628 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.673 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.82 152.39 22.14 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.918 0.389 . . . . 0.0 111.482 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . 0.431 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 0.4 OUTLIER -125.02 151.16 45.94 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.011 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -121.61 139.13 53.93 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.628 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 8.6 mtm -147.94 123.73 10.57 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.782 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 21.9 t -101.99 117.91 48.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.754 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 31.4 m -100.48 150.25 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.442 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.229 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.143 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.9 mtpp . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.658 0.266 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.42 ' CG1' ' HB2' ' B' ' 38' ' ' ASN . 39.6 t -103.4 125.93 57.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.4 m -128.89 105.88 8.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.679 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 67.2 mt -102.48 155.32 18.34 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.034 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.3 t -124.97 99.56 6.27 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 CA-C-O 120.889 0.376 . . . . 0.0 111.172 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.442 ' HB2' ' CE1' ' A' ' 14' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.232 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.075 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.707 0.289 . . . . 0.0 110.772 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.442 ' CE1' ' HB2' ' A' ' 7' ' ' LYS . 48.8 m-85 -61.36 -27.7 68.7 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.077 179.631 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.52 33.45 59.0 Favored Glycine 0 C--N 1.337 0.62 0 C-N-CA 121.29 -0.481 . . . . 0.0 113.283 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 pp -107.58 115.58 30.4 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.945 0.402 . . . . 0.0 110.478 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.479 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.1 OUTLIER -72.32 108.37 5.42 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.552 -179.879 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -96.69 127.42 42.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -135.04 165.62 24.93 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.968 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.403 ' OG ' ' HA ' ' A' ' 55' ' ' ASN . 56.6 p -119.31 152.67 36.34 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.87 0.366 . . . . 0.0 111.156 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.437 ' HD2' ' CE1' ' B' ' 23' ' ' PHE . 0.1 OUTLIER -117.87 177.56 4.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.783 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 28.5 mm -132.85 126.83 54.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.881 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.455 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 21.6 p90 -129.79 174.67 9.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 25.3 t -98.21 111.89 29.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.09 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.488 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 8.5 tptt -67.65 -36.89 81.58 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.359 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -174.02 176.57 2.54 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.838 0.352 . . . . 0.0 111.229 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.6 mp -141.02 136.54 33.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.741 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.8 m -68.47 152.31 45.57 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.844 0.354 . . . . 0.0 111.251 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -79.02 144.06 35.05 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.927 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 57.13 32.13 21.18 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.23 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.1 p -99.75 -178.3 3.83 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.839 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.4 mt -59.96 -35.18 74.43 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.071 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.17 -38.77 75.48 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.087 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.06 -42.78 95.24 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.765 0.317 . . . . 0.0 111.033 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -35.36 69.02 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.72 179.401 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -73.36 -38.16 65.81 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.431 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.9 34.93 91.23 Favored Glycine 0 C--N 1.335 0.501 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.506 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.407 ' CB ' HG13 ' B' ' 3' ' ' VAL . 5.6 m-80 -112.33 -27.22 8.39 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.0 mt -107.59 132.73 54.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 120.646 0.26 . . . . 0.0 111.283 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -134.42 159.95 39.5 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -60.48 120.11 9.32 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.788 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.31 -16.76 44.88 Favored Glycine 0 CA--C 1.523 0.558 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.859 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.22 144.57 19.7 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 120.747 0.308 . . . . 0.0 111.347 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.5 t -108.45 122.4 62.91 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.023 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.9 t -93.1 130.65 41.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.399 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.04 -45.24 5.73 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.708 179.467 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.9 mtpt -137.58 153.42 49.94 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.392 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 30.4 mt -136.9 120.78 22.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.619 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 57.69 35.38 25.55 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.212 -179.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.92 31.18 54.31 Favored Glycine 0 CA--C 1.522 0.493 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.901 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.61 131.65 20.43 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.679 0.239 . . . . 0.0 110.706 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.4 t -67.42 143.91 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.687 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.27 31.46 6.67 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.454 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.76 148.71 23.81 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 120.717 0.294 . . . . 0.0 110.32 179.19 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.403 ' HA ' ' OG ' ' A' ' 20' ' ' SER . 6.6 p30 53.19 17.24 0.94 Allowed 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.67 -0.696 . . . . 0.0 112.145 -179.334 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.1 ttm -95.03 142.88 26.99 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.652 0.263 . . . . 0.0 110.595 179.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.37 143.85 48.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.829 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.1 tp -53.13 -33.23 51.46 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.021 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.18 -40.8 64.52 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.757 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -55.43 -41.92 73.46 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.243 179.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.53 -36.63 78.89 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.555 179.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 63' ' ' THR . 0.0 OUTLIER -62.41 -32.94 73.86 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.658 179.312 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.429 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 0.2 OUTLIER -63.06 -41.84 99.55 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.97 179.58 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.84 -34.55 67.87 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.853 0.359 . . . . 0.0 110.224 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 16.9 mm -71.13 -31.91 46.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.691 179.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.68 -46.01 27.39 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.056 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -57.19 -32.82 66.85 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.977 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.423 ' CB ' ' HG ' ' A' ' 72' ' ' LEU . 75.2 m -70.58 97.09 1.27 Allowed 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.872 0.368 . . . . 0.0 110.752 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.76 38.85 1.39 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.035 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 172.6 -102.62 0.18 Allowed Glycine 0 C--N 1.334 0.431 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.558 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -84.24 130.5 34.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.81 0.338 . . . . 0.0 111.056 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.433 HD11 ' CZ ' ' B' ' 14' ' ' TYR . 0.4 OUTLIER -117.48 132.44 56.55 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.035 -179.889 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.0 mtmt -114.65 130.83 56.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.667 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 18.3 mtm -140.53 123.51 16.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.688 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.8 t -98.26 118.13 44.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.031 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 6.5 m -108.49 167.06 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.471 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 . . . . . 0 CA--C 1.531 0.213 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.54 -179.617 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 7.8 m . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 120.587 0.232 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 7.7 mttm -133.14 128.26 35.68 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.178 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' VAL . . . . . 0.407 HG13 ' CB ' ' A' ' 38' ' ' ASN . 43.8 t -104.16 126.97 58.77 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.818 179.732 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 1.5 m -128.94 105.65 8.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.779 0.323 . . . . 0.0 110.805 179.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 68.1 mt -100.17 152.13 20.62 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.745 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 25.6 t -127.24 101.52 7.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 120.861 0.363 . . . . 0.0 111.153 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.414 ' HB2' ' CE1' ' B' ' 14' ' ' TYR . 0.9 OUTLIER . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.736 179.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 C--O 1.233 0.201 0 CA-C-O 120.691 0.281 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . 0.433 ' CZ ' HD11 ' A' ' 72' ' ' LEU . 15.0 m-85 -66.8 -38.84 87.28 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.207 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.42 49.22 61.36 Favored Glycine 0 C--N 1.337 0.63 0 C-N-CA 121.131 -0.556 . . . . 0.0 112.429 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -106.75 142.1 36.93 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.919 0.39 . . . . 0.0 111.535 -179.226 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.488 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -103.94 122.12 44.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.974 179.02 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 2.5 mp -124.71 153.42 42.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.081 0.467 . . . . 0.0 111.914 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.455 ' HB3' ' CZ ' ' A' ' 23' ' ' PHE . . . -143.1 -177.18 5.23 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.821 179.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.434 ' O ' ' HG2' ' B' ' 54' ' ' GLU . 53.5 p -132.05 149.96 52.28 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.954 0.407 . . . . 0.0 112.03 -179.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' HIS . . . . . 0.439 ' HD2' ' CE1' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -123.29 -179.34 4.27 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.447 179.57 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . 0.422 HG13 HG23 ' B' ' 53' ' ' THR . 40.5 mm -129.5 138.03 55.33 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-O 120.775 0.321 . . . . 0.0 111.173 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.437 ' CE1' ' HD2' ' A' ' 21' ' ' HIS . 6.3 p90 -146.79 178.81 8.03 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.039 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 19.6 t -108.0 110.96 33.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.038 179.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.479 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 10.2 tptm -56.08 -45.47 79.34 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.048 179.627 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -176.46 170.97 2.44 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.099 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 2.1 mt -117.97 131.99 69.09 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.169 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 60.1 m -78.82 150.3 32.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.149 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -74.74 152.11 39.1 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.975 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 57.7 33.15 22.88 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.097 -179.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 1.7 m -110.77 171.84 7.22 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.961 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 18.5 mt -61.4 -40.32 93.94 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.221 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . 0.405 ' HB3' HD12 ' B' ' 39' ' ' ILE . . . -64.94 -47.57 77.2 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.057 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.92 -38.25 87.7 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.996 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 55.4 mtp85 -71.1 -41.33 70.74 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.82 -32.73 69.88 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.682 -0.235 . . . . 0.0 111.28 179.732 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.25 39.26 94.35 Favored Glycine 0 C--N 1.333 0.392 0 C-N-CA 120.911 -0.661 . . . . 0.0 113.036 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.42 ' HB2' ' CG1' ' A' ' 3' ' ' VAL . 19.7 m120 -111.75 -48.49 3.06 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.813 0.306 . . . . 0.0 111.024 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . 0.405 HD12 ' HB3' ' B' ' 33' ' ' ALA . 24.0 mt -74.84 144.85 11.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.367 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -132.46 146.49 51.97 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.804 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -61.53 117.21 5.43 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.609 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.83 -13.84 49.67 Favored Glycine 0 CA--C 1.523 0.588 0 C-N-CA 120.849 -0.691 . . . . 0.0 113.014 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -56.01 135.36 52.6 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.958 0.379 . . . . 0.0 111.042 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.1 t -98.91 100.43 10.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.605 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 21.8 t -68.23 120.48 15.72 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.202 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.77 -47.72 9.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.884 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -137.65 150.46 47.4 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.408 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 19.4 mt -126.71 120.87 57.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.381 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 58.55 31.55 21.16 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.17 -179.595 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.32 35.02 27.66 Favored Glycine 0 C--N 1.336 0.544 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.92 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.18 133.72 19.79 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.809 0.305 . . . . 0.0 110.839 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 20.7 t -68.77 144.22 14.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.636 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' THR . . . . . 0.422 HG23 HG13 ' B' ' 22' ' ' ILE . 0.2 OUTLIER -121.75 21.58 10.72 Favored 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -179.658 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' B' ' 20' ' ' SER . 7.7 tm-20 -88.25 151.81 22.39 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 120.744 0.307 . . . . 0.0 110.21 179.096 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 3.0 p30 58.96 8.32 0.96 Allowed 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.549 -0.751 . . . . 0.0 112.676 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 1.9 ttm -97.94 160.62 14.19 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.728 0.299 . . . . 0.0 110.738 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 18.4 m -67.46 145.68 54.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.624 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 27.2 tp -55.27 -32.57 62.48 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.592 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.71 -37.91 89.2 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.735 179.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.63 -44.75 85.79 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-O 120.769 0.319 . . . . 0.0 110.638 179.549 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.61 -38.14 74.43 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.644 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.05 -36.61 82.42 Favored 'General case' 0 N--CA 1.462 0.125 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.488 179.154 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.93 -44.1 94.54 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.0 -37.65 69.43 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.397 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 24.8 mt -77.13 -30.24 17.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.768 179.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -75.24 -44.67 44.84 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.768 0.318 . . . . 0.0 110.799 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -58.54 -30.59 67.22 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.153 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 3.5 m -53.46 113.83 1.3 Allowed 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.275 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? -96.9 34.08 1.78 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.772 179.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 148.0 -89.88 0.15 Allowed Glycine 0 C--N 1.336 0.537 0 C-N-CA 121.106 -0.568 . . . . 0.0 112.389 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 pttp -75.88 138.53 41.13 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.02 0.438 . . . . 0.0 111.39 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . 0.431 ' HB2' ' CE1' ' A' ' 14' ' ' TYR . 0.6 OUTLIER -125.04 146.67 49.33 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.798 179.682 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.7 131.68 51.32 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.107 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 13.1 mtp -140.49 122.88 15.98 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.767 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 21.8 t -98.46 119.67 46.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.097 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 13.2 m -110.6 174.47 1.95 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.255 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.171 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.233 0.215 0 CA-C-O 120.573 0.225 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.1 t -103.43 125.76 57.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.792 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 m -127.65 106.0 8.85 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.75 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 51.9 mt -104.16 159.87 15.33 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.876 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.9 t -136.49 106.49 5.28 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.006 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.51 ' CG ' ' HA2' ' B' ' 70' ' ' GLY . 4.9 ptpt . . . . . 0 N--CA 1.47 0.556 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.817 0.341 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.465 ' CE2' ' HE2' ' A' ' 7' ' ' LYS . 15.8 m-85 -66.62 -46.55 75.47 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.205 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.52 52.35 48.54 Favored Glycine 0 C--N 1.337 0.587 0 C-N-CA 121.139 -0.553 . . . . 0.0 112.803 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 pp -121.17 124.6 45.11 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.935 0.397 . . . . 0.0 110.959 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.1 mtt180 -73.6 118.63 16.78 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.665 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.19 129.1 54.9 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.24 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -132.49 -179.72 5.62 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.827 179.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 62.5 p -135.81 155.89 49.64 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.177 0.513 . . . . 0.0 111.77 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -125.19 175.09 7.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.481 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 30.7 mm -134.63 132.36 54.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.151 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.404 ' CZ ' ' CB ' ' B' ' 19' ' ' ALA . 8.0 p90 -140.73 177.13 8.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.005 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.7 t -102.13 114.01 40.28 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-O 120.965 0.412 . . . . 0.0 111.322 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.492 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 36.4 tptt -59.83 -44.6 93.96 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.527 179.511 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 179.6 -179.63 0.44 Allowed 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.867 0.365 . . . . 0.0 110.967 -179.566 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.4 mp -120.1 133.25 67.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.589 179.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.3 m -75.03 156.61 36.0 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.285 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -82.76 144.75 29.96 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.117 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 56.53 35.86 26.67 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.11 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.7 m -115.33 171.16 7.87 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.592 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.487 ' HB2' ' HA ' ' B' ' 14' ' ' TYR . 27.9 mt -57.84 -43.69 85.99 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.09 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.88 -45.16 87.16 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.477 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.57 -36.44 82.66 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.077 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -75.71 -46.81 29.05 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.808 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.417 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 1.3 t0 -60.34 -37.63 81.27 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.706 0.288 . . . . 0.0 111.044 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.66 33.95 87.56 Favored Glycine 0 C--N 1.335 0.511 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.384 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.407 ' HB3' HG12 ' B' ' 3' ' ' VAL . 1.5 m-80 -106.01 -31.65 8.65 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.526 0.203 . . . . 0.0 111.525 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 21.7 mt -96.57 146.07 7.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.013 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -129.83 155.07 46.58 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.055 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.73 129.72 34.99 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.722 0.296 . . . . 0.0 110.938 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.64 -14.68 53.5 Favored Glycine 0 CA--C 1.522 0.506 0 C-N-CA 120.814 -0.708 . . . . 0.0 113.747 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.418 ' HB2' HG13 ' A' ' 76' ' ' VAL . 51.8 p-10 -74.85 157.64 34.76 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 117.646 0.723 . . . . 0.0 110.975 179.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 25.7 t -111.37 117.12 54.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.344 -178.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.4 t -82.76 135.59 24.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.353 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.4 tt -102.99 -38.38 7.37 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.37 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.9 mttm -135.79 151.94 50.59 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -179.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 52.4 mt -139.13 126.83 26.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.639 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 20.1 p30 45.69 33.35 1.44 Allowed 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.215 0.606 . . . . 0.0 111.783 -179.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 83.24 38.67 10.75 Favored Glycine 0 C--N 1.337 0.615 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.829 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.32 137.88 20.96 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.688 0.244 . . . . 0.0 110.521 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 38.5 t -64.37 149.09 11.32 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.769 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.47 56.52 1.83 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.355 0.597 . . . . 0.0 111.0 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -135.47 140.32 44.75 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.432 -0.803 . . . . 0.0 109.67 178.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 67.72 8.01 6.09 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.921 -179.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -93.8 169.43 10.31 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.736 0.303 . . . . 0.0 110.791 179.272 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.9 t -84.15 148.08 26.97 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.668 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 19.4 tp -56.69 -30.78 63.8 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.653 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.2 -37.96 81.45 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.414 179.312 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -59.92 -39.32 85.05 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.629 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.1 -39.29 78.24 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.794 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.7 mmmt -62.22 -36.68 82.68 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.381 179.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.98 -39.02 92.85 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.973 179.551 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 67' ' ' ARG . 28.7 mt -55.7 -34.34 65.0 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.718 179.591 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 16.2 mt -76.14 -30.94 20.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.923 179.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -74.25 -54.92 6.7 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.948 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.405 ' HD3' ' HA ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -59.78 -26.2 65.52 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.511 179.839 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 m -56.86 115.55 2.65 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.842 0.353 . . . . 0.0 111.141 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.16 105.74 17.73 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.271 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 81.14 -113.34 3.62 Favored Glycine 0 C--N 1.336 0.536 0 C-N-CA 121.218 -0.515 . . . . 0.0 113.204 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.6 153.35 43.57 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.745 0.307 . . . . 0.0 111.216 -179.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -130.17 131.05 45.46 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.152 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.85 135.89 48.49 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.946 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 2.0 mtm -136.37 121.36 18.83 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.525 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.6 t -99.04 131.69 45.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.056 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.418 HG13 ' HB2' ' A' ' 43' ' ' ASP . 21.6 t -103.28 156.75 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.837 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 . . . . . 0 CA--C 1.529 0.153 0 CA-C-O 120.886 0.374 . . . . 0.0 111.499 -179.919 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 120.716 0.293 . . . . 0.0 111.198 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -124.11 142.79 50.91 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.037 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' VAL . . . . . 0.407 HG12 ' HB3' ' A' ' 38' ' ' ASN . 24.1 t -127.68 128.57 69.64 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.964 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 6.6 m -129.0 107.36 9.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.151 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -100.45 160.17 14.55 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.793 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 21.9 t -124.94 100.14 6.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.938 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.529 ' HB2' ' CZ ' ' B' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.236 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.324 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 . . . . . 0 C--O 1.234 0.268 0 CA-C-O 120.689 0.281 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . 0.529 ' CZ ' ' HB2' ' B' ' 7' ' ' LYS . 48.9 m-85 -54.94 -47.85 73.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.087 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.38 45.68 95.43 Favored Glycine 0 C--N 1.336 0.54 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.422 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 pp -115.21 111.66 21.3 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.988 0.423 . . . . 0.0 110.902 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.492 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -74.59 114.56 13.15 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.049 179.666 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -109.42 164.74 12.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.917 0.389 . . . . 0.0 111.321 -179.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.404 ' CB ' ' CZ ' ' A' ' 23' ' ' PHE . . . -157.3 177.75 11.1 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.214 -179.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 93.3 p -133.09 152.42 51.95 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.96 0.409 . . . . 0.0 111.162 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -123.72 163.64 20.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.1 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 mp -122.75 134.29 66.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.407 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -143.48 178.03 8.05 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.358 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 23.1 t -107.66 110.39 31.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.91 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -59.97 -41.36 91.81 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.296 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -172.66 175.22 3.5 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.952 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 3.3 mp -130.31 144.82 36.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 69.2 m -85.82 139.89 30.9 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 5.5 pm0 -74.13 158.23 34.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.527 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 56.68 34.98 25.46 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.248 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 1.6 m -120.61 178.33 4.72 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.728 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.405 HD12 ' CD1' ' A' ' 14' ' ' TYR . 42.9 mt -59.79 -39.65 85.64 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.299 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.06 -45.81 91.91 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.152 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.12 -37.71 83.76 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.059 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -74.07 -43.78 56.49 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.691 179.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -64.65 -37.04 86.2 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.101 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.6 37.63 93.81 Favored Glycine 0 C--N 1.336 0.569 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.573 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -114.35 -40.5 3.63 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 -179.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 8.1 mt -86.53 132.92 31.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-O 120.754 0.312 . . . . 0.0 111.245 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -129.7 149.21 51.55 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.68 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 53.6 tt0 -55.81 116.23 2.83 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.636 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.56 -2.35 46.0 Favored Glycine 0 CA--C 1.525 0.664 0 C-N-CA 120.863 -0.684 . . . . 0.0 113.171 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -58.36 142.55 47.91 Favored 'General case' 0 C--N 1.341 0.22 0 CA-C-N 117.034 0.417 . . . . 0.0 110.947 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 22.6 t -106.42 98.46 6.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.81 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 23.7 t -80.29 101.4 5.33 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.148 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.74 -31.07 46.12 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.642 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -139.39 156.44 46.99 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 120.812 0.339 . . . . 0.0 111.232 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 34.8 mt -142.14 121.73 10.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.593 179.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 60.35 34.01 20.75 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.33 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.33 25.15 64.16 Favored Glycine 0 C--N 1.335 0.519 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.673 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 4.8 m -131.8 139.4 48.88 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.657 0.265 . . . . 0.0 110.42 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 34.5 t -69.35 134.83 29.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.852 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -121.07 46.39 2.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.618 179.566 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -118.54 143.14 46.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.016 179.117 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 69.42 6.28 5.61 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.58 -179.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -94.61 159.32 15.13 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.75 0.31 . . . . 0.0 110.893 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 2.8 m -65.67 151.49 46.42 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.814 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 47.9 tp -55.6 -31.15 62.0 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.405 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.28 -38.5 71.84 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.797 179.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.58 -41.64 70.12 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-O 120.753 0.311 . . . . 0.0 110.245 179.323 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.83 -37.64 87.6 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.259 178.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' B' ' 63' ' ' THR . 0.0 OUTLIER -65.33 -31.98 73.39 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.742 179.258 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' THR . . . . . 0.45 ' N ' ' HG3' ' B' ' 62' ' ' LYS . 0.9 OUTLIER -66.58 -44.06 83.22 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.035 179.882 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.35 -37.47 67.53 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.8 0.333 . . . . 0.0 110.288 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 40.3 mt -70.67 -31.38 45.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.608 178.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -76.56 -41.65 45.71 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.751 179.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 -59.34 -27.2 65.7 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.477 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 16.8 t -52.95 114.7 1.52 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 120.732 0.301 . . . . 0.0 111.229 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -94.87 34.97 1.29 Allowed 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.356 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . 0.51 ' HA2' ' CG ' ' A' ' 7' ' ' LYS . . . 132.83 -65.51 0.59 Allowed Glycine 0 C--N 1.336 0.535 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.528 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -91.88 114.15 26.62 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.685 0.279 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . 0.437 ' HB2' ' CE1' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -97.79 137.68 36.3 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.044 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -124.14 122.15 37.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.695 179.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 14.6 mtp -133.65 118.16 17.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.637 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 36.8 t -98.01 127.99 49.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.753 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 33.5 m -115.13 173.59 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.519 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? . . . . . 0 C--O 1.233 0.207 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.015 179.747 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.4 tttt . . . . . 0 N--CA 1.463 0.181 0 CA-C-O 120.858 0.361 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 20.2 t -119.76 133.45 66.51 Favored 'Isoleucine or valine' 0 C--O 1.231 0.13 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.006 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.87 114.43 16.5 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.929 179.721 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 26.0 mt -111.99 159.08 18.77 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.099 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 20.9 t -134.22 104.78 6.08 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.959 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.433 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 23.9 ttmt . . . . . 0 N--CA 1.464 0.266 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.142 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.824 0.345 . . . . 0.0 110.728 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.433 ' CZ ' ' HB2' ' A' ' 7' ' ' LYS . 19.7 m-85 -74.34 -33.8 63.24 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.375 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.01 28.24 63.43 Favored Glycine 0 C--N 1.336 0.544 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.628 -179.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 pp -95.22 138.82 32.41 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.852 0.358 . . . . 0.0 111.112 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.562 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -114.04 135.97 53.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.657 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 mt -120.45 169.05 10.69 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-O 121.532 0.682 . . . . 0.0 111.415 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.444 ' CB ' ' CZ ' ' B' ' 23' ' ' PHE . . . -156.31 171.64 19.87 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.418 -1.264 . . . . 0.0 110.013 178.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 64.3 p -128.66 146.53 50.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.16 0.505 . . . . 0.0 112.165 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.489 ' HD2' ' CE1' ' B' ' 23' ' ' PHE . 0.2 OUTLIER -115.03 178.43 4.28 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.162 179.299 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.414 HG13 ' HB ' ' A' ' 53' ' ' THR . 33.6 mm -130.04 131.68 65.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.7 0.286 . . . . 0.0 111.22 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.459 ' CE1' ' HD2' ' B' ' 21' ' ' HIS . 15.4 p90 -142.08 177.02 8.51 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.412 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.2 t -106.11 112.61 40.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.959 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.419 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 9.1 tttp -64.49 -38.13 89.93 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.41 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -177.35 174.76 1.56 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.75 0.309 . . . . 0.0 110.928 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.1 mp -131.09 139.44 51.02 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.201 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.8 t -83.85 154.06 23.68 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.305 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -84.9 156.11 21.39 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.079 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 57.79 31.76 20.93 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.284 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.4 m -119.04 173.94 6.6 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.787 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 34.4 mt -57.78 -44.49 86.28 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.06 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.25 -45.91 91.61 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.08 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.06 -37.15 83.54 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.268 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.62 -49.04 43.86 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.214 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.5 -32.47 74.12 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.572 0.225 . . . . 0.0 111.224 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.67 35.91 92.65 Favored Glycine 0 C--N 1.336 0.538 0 C-N-CA 121.013 -0.613 . . . . 0.0 113.111 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -107.86 -33.35 7.26 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.783 0.291 . . . . 0.0 111.511 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 18.6 mt -90.82 140.42 16.0 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 CA-C-O 120.71 0.291 . . . . 0.0 111.346 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -135.38 150.03 49.82 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.978 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -62.84 127.59 31.98 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.796 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 98.94 -17.63 57.94 Favored Glycine 0 CA--C 1.522 0.518 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.711 -179.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -55.9 139.43 46.04 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.769 0.319 . . . . 0.0 110.923 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 20.8 t -100.94 98.56 7.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.997 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 29.0 t -75.89 89.26 0.78 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.049 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.3 tt -68.51 -44.16 75.25 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.315 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.58 154.28 38.15 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 120.802 0.334 . . . . 0.0 111.235 -179.485 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 34.8 mt -141.0 114.21 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.596 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 58.97 35.58 24.15 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.384 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.7 32.49 45.77 Favored Glycine 0 C--N 1.335 0.495 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.638 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.38 120.06 9.2 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.604 0.24 . . . . 0.0 110.638 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 31.6 t -66.79 133.97 30.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.724 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.414 ' HB ' HG13 ' A' ' 22' ' ' ILE . 0.6 OUTLIER -115.83 37.1 3.74 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.478 -179.793 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -93.93 142.85 26.91 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 179.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 69.57 6.53 5.75 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.205 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.0 ttm -93.01 178.04 5.88 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.748 0.308 . . . . 0.0 110.59 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.2 p -87.88 149.87 23.85 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.506 179.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.4 tp -57.18 -29.35 63.59 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.554 -0.293 . . . . 0.0 110.772 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.97 -39.31 93.29 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.839 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.17 -42.24 76.75 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.766 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.17 -44.15 87.8 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.76 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.1 mttp -60.8 -35.51 76.68 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.634 179.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.7 m -63.61 -46.35 86.13 Favored 'General case' 0 N--CA 1.462 0.125 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.225 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.2 mt -56.04 -37.67 69.54 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.866 0.365 . . . . 0.0 110.162 179.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 39.8 mt -75.22 -29.52 21.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.736 178.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.74 -50.27 15.77 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.74 0.305 . . . . 0.0 110.974 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 19.3 ttt-85 -60.71 -28.75 68.88 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.239 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.451 ' CB ' ' HG ' ' A' ' 72' ' ' LEU . 9.4 m -65.58 89.63 0.1 Allowed 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.009 0.433 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.1 mttm -91.29 54.76 2.64 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.232 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 158.14 -117.86 0.8 Allowed Glycine 0 C--N 1.334 0.44 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.295 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.43 140.72 43.09 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.843 0.354 . . . . 0.0 111.333 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.451 ' HG ' ' CB ' ' A' ' 68' ' ' SER . 0.5 OUTLIER -124.9 144.74 50.17 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.672 179.905 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.39 136.16 53.15 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.779 179.734 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -141.54 126.17 17.9 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.013 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.2 t -100.63 117.16 45.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 28.0 m -119.33 162.7 17.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.588 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.203 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.213 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 120.598 0.237 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.92 132.12 52.18 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.8 0.334 . . . . 0.0 111.336 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 38.3 t -112.02 123.56 67.9 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.138 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 4.9 m -127.02 112.16 14.9 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.819 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 41.1 mt -110.8 157.69 19.52 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.051 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 33.2 t -123.41 103.32 12.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.099 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.506 ' HB2' ' CZ ' ' B' ' 14' ' ' TYR . 2.0 ttmt . . . . . 0 N--CA 1.462 0.17 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.301 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.899 0.381 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . 0.506 ' CZ ' ' HB2' ' B' ' 7' ' ' LYS . 61.8 m-85 -68.74 -29.46 67.86 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.391 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.15 46.99 92.94 Favored Glycine 0 C--N 1.335 0.515 0 C-N-CA 121.284 -0.484 . . . . 0.0 113.018 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 pp -124.77 129.27 50.14 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.777 0.323 . . . . 0.0 110.973 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.419 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 1.3 mmt85 -82.68 117.66 22.78 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.705 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -106.4 132.0 52.95 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.992 -179.765 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.41 ' CB ' ' CZ ' ' A' ' 23' ' ' PHE . . . -136.15 175.45 9.59 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.211 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 58.3 p -141.01 150.16 42.68 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.923 0.392 . . . . 0.0 111.703 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' HIS . . . . . 0.459 ' HD2' ' CE1' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -114.75 177.16 4.75 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.109 179.718 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 26.8 mm -132.54 120.82 43.66 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.365 179.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.489 ' CE1' ' HD2' ' A' ' 21' ' ' HIS . 20.9 p90 -125.51 -175.93 3.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.372 -179.584 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t -96.57 113.68 31.54 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-O 120.861 0.362 . . . . 0.0 111.54 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.562 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 21.7 tptp -66.47 -40.71 89.49 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.786 179.136 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.418 ' HG3' ' HB2' ' A' ' 17' ' ' ARG . 2.1 pt-20 179.92 172.83 0.99 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.961 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 2.7 mt -133.75 137.47 52.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.184 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.977 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.59 149.88 34.76 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.157 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -75.51 150.0 38.27 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.824 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 57.36 37.4 27.99 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.026 -179.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.95 174.31 5.96 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.825 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 42.5 mt -58.62 -41.91 86.99 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.176 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.14 -46.71 89.45 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.218 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.13 -38.68 83.82 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.076 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.87 -39.32 51.51 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.895 179.629 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -63.09 -35.9 81.81 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.386 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.75 35.18 84.94 Favored Glycine 0 C--N 1.334 0.456 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.419 -179.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -121.65 -53.5 1.98 Allowed 'General case' 0 C--N 1.334 -0.082 0 CA-C-O 120.606 0.241 . . . . 0.0 110.911 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 3.3 mp -72.41 123.22 26.56 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.817 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -128.17 142.9 51.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.823 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.18 119.45 6.88 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.66 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.81 4.37 51.77 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 120.95 -0.643 . . . . 0.0 113.178 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.04 130.19 39.34 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 117.138 0.469 . . . . 0.0 110.628 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 22.1 t -84.66 104.22 12.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.794 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 21.6 t -81.84 137.76 20.66 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.272 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.67 -39.33 4.34 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.163 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 6.2 mtpp -137.71 157.61 46.1 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.881 0.372 . . . . 0.0 111.543 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 20.6 mt -143.31 123.04 8.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.501 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 52.95 36.54 22.15 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.457 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.77 35.89 44.22 Favored Glycine 0 C--N 1.335 0.5 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.731 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.7 132.4 17.89 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.517 0.199 . . . . 0.0 110.599 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 24.0 t -76.33 136.28 25.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.808 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -118.27 34.64 5.09 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.187 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -95.55 142.74 27.52 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.188 179.201 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 65.68 12.74 8.5 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.856 -179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -101.52 175.13 5.67 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.731 0.3 . . . . 0.0 110.866 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 3.8 m -81.91 147.53 29.23 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.715 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 14.5 tp -56.04 -29.77 60.94 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.837 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.66 -40.02 95.8 Favored 'General case' 0 CA--C 1.527 0.092 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.867 179.48 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -55.33 -47.2 76.02 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.454 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.54 -37.65 76.12 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.418 179.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' B' ' 63' ' ' THR . 0.0 OUTLIER -64.99 -36.99 86.19 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.424 179.201 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' THR . . . . . 0.412 ' N ' ' HG3' ' B' ' 62' ' ' LYS . 0.2 OUTLIER -63.96 -41.7 97.5 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 179.656 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.33 -34.06 66.2 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.73 0.3 . . . . 0.0 110.852 179.477 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 17.1 mt -78.63 -29.02 14.49 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.727 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -77.99 -45.04 24.91 Favored 'General case' 0 CA--C 1.53 0.173 0 CA-C-O 120.77 0.319 . . . . 0.0 110.93 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.75 -17.4 64.59 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.053 -0.521 . . . . 0.0 112.303 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 58.2 p -56.7 104.32 0.15 Allowed 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 121.007 0.432 . . . . 0.0 111.024 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -65.83 -44.59 85.1 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.85 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -146.94 -64.59 0.01 OUTLIER Glycine 0 C--N 1.335 0.504 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.713 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -95.6 136.74 35.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.841 0.353 . . . . 0.0 110.995 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -118.08 138.76 52.02 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.268 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 6.0 mtpt -121.03 135.81 55.12 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.078 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 12.8 mtp -137.67 124.99 21.81 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 21.9 t -100.3 120.96 50.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.937 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 12.6 m -129.31 165.67 28.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 120.778 0.323 . . . . 0.0 111.418 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.233 0.222 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.103 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.2 ttmm . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.859 0.361 . . . . 0.0 111.314 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 41.3 t -117.59 133.2 65.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.923 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.4 m -129.35 117.24 20.31 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 120.823 0.344 . . . . 0.0 111.162 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 76.4 mt -115.49 155.74 26.96 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.757 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 38.9 t -126.46 102.69 10.19 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 CA-C-O 120.739 0.304 . . . . 0.0 111.074 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.453 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 1.1 ttmm . . . . . 0 N--CA 1.464 0.244 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.178 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.836 0.351 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.453 ' CZ ' ' HB2' ' A' ' 7' ' ' LYS . 69.3 m-85 -60.2 -34.05 73.08 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.361 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.86 29.37 61.72 Favored Glycine 0 C--N 1.335 0.523 0 C-N-CA 121.068 -0.587 . . . . 0.0 113.027 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 pp -111.48 123.96 51.3 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.859 0.361 . . . . 0.0 110.857 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.532 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.2 OUTLIER -85.05 145.47 27.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.486 179.847 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.72 163.58 27.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.069 0.461 . . . . 0.0 111.711 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.413 ' HB2' ' CZ ' ' B' ' 23' ' ' PHE . . . -158.76 177.41 11.21 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.183 -179.556 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 80.4 p -139.46 153.74 47.61 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 120.874 0.368 . . . . 0.0 111.516 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.431 ' HD2' ' CE1' ' B' ' 23' ' ' PHE . 0.2 OUTLIER -119.53 175.14 5.99 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.468 179.632 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.406 HG13 ' HB ' ' A' ' 53' ' ' THR . 27.8 mm -129.08 137.66 56.56 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-O 120.73 0.3 . . . . 0.0 111.397 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.412 ' CE1' ' HD2' ' B' ' 21' ' ' HIS . 10.8 p90 -149.01 178.8 8.38 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.379 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.5 t -104.02 122.17 56.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.247 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.478 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 10.5 tptt -76.58 -35.39 58.19 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.27 179.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' B' ' 17' ' ' ARG . 0.7 OUTLIER -172.68 175.46 3.43 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.916 0.389 . . . . 0.0 111.321 -179.775 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.8 mm -123.3 131.71 72.69 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.495 179.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t -76.34 138.68 40.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.8 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.57 143.21 54.96 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 t0 59.19 37.67 23.8 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.6 p -110.58 177.2 4.76 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.931 0.396 . . . . 0.0 111.164 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' B' ' 7' ' ' LYS . 21.7 mt -63.86 -34.4 77.85 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.106 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.86 -34.25 77.72 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.773 -0.194 . . . . 0.0 111.198 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.43 -52.16 59.48 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.35 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.78 -35.18 72.45 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.097 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -61.56 -35.92 79.14 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.089 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.18 31.5 81.04 Favored Glycine 0 C--N 1.335 0.475 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.978 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -123.55 -44.01 2.13 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.706 0.253 . . . . 0.0 111.299 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.6 mp -83.87 127.43 39.78 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.989 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -137.76 169.22 18.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.939 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -74.21 127.17 32.27 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.666 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.11 -20.93 39.24 Favored Glycine 0 CA--C 1.522 0.491 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.457 -179.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -54.02 138.18 37.92 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.683 0.278 . . . . 0.0 111.249 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.0 t -101.99 99.61 8.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.925 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.0 t -74.45 128.29 36.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.9 tp -103.29 -44.6 5.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.422 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -133.27 153.1 51.86 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.857 0.361 . . . . 0.0 111.81 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.5 mp -139.35 123.33 19.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.409 179.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 57.61 30.54 18.95 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.13 -179.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 83.26 32.7 24.97 Favored Glycine 0 C--N 1.337 0.621 0 C-N-CA 120.981 -0.628 . . . . 0.0 113.217 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -148.36 129.44 14.51 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 117.084 0.442 . . . . 0.0 111.053 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 20.8 t -74.49 138.78 20.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.694 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.406 ' HB ' HG13 ' A' ' 22' ' ' ILE . 0.9 OUTLIER -112.33 24.3 12.7 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 179.836 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -82.6 144.08 30.57 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 179.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.7 m120 64.78 14.31 9.07 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.582 -179.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.5 ttm -107.57 165.77 11.16 Favored 'General case' 0 CA--C 1.53 0.212 0 CA-C-O 120.796 0.331 . . . . 0.0 111.138 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 51.7 m -74.31 143.36 45.0 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.715 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 25.2 tp -56.26 -32.65 64.71 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.029 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.07 -39.34 93.86 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.402 179.406 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -55.11 -44.59 75.12 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.006 179.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.91 -38.99 73.62 Favored 'General case' 0 CA--C 1.527 0.096 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.979 179.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -35.98 79.38 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.642 179.432 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.2 m -62.67 -43.99 97.39 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.81 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.9 mt -56.39 -37.28 69.91 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 17.1 mt -69.84 -32.2 51.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.335 178.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -74.18 -43.38 57.49 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.731 0.301 . . . . 0.0 110.7 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -66.86 -18.66 65.49 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.919 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.46 ' OG ' ' HG ' ' A' ' 72' ' ' LEU . 63.0 m -57.92 110.7 0.97 Allowed 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.569 0.223 . . . . 0.0 110.924 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.36 -56.4 20.73 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.129 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -134.04 -79.63 0.13 Allowed Glycine 0 C--N 1.335 0.498 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.352 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -79.22 145.52 33.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.739 0.304 . . . . 0.0 110.912 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.46 ' HG ' ' OG ' ' A' ' 68' ' ' SER . 0.7 OUTLIER -123.27 118.53 27.78 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.885 179.872 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -94.76 135.61 36.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.492 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 11.3 mtp -140.69 123.63 16.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.838 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 26.3 t -98.06 123.7 50.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.658 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 24.1 t -120.04 152.5 22.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.888 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.675 0.274 . . . . 0.0 110.777 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 20.7 m . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 120.671 0.272 . . . . 0.0 111.288 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -110.89 124.67 52.52 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.883 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 21.7 t -111.94 131.44 63.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.934 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.95 115.13 17.36 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.774 0.321 . . . . 0.0 111.157 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.403 HD13 ' HB3' ' A' ' 32' ' ' LEU . 3.2 mm? -107.11 157.48 17.81 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.715 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 12.1 t -129.92 100.1 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.137 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.982 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.521 ' HB2' ' CZ ' ' B' ' 14' ' ' TYR . 0.5 OUTLIER . . . . . 0 N--CA 1.463 0.201 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.994 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 . . . . . 0 C--O 1.234 0.244 0 CA-C-O 120.739 0.304 . . . . 0.0 110.714 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . 0.521 ' CZ ' ' HB2' ' B' ' 7' ' ' LYS . 59.6 m-85 -58.67 -42.41 88.41 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.349 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.74 51.92 49.47 Favored Glycine 0 CA--C 1.522 0.485 0 C-N-CA 121.189 -0.529 . . . . 0.0 113.203 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 pp -125.66 124.68 41.67 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 120.774 0.321 . . . . 0.0 110.979 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.478 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -84.38 109.66 18.02 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.437 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.0 142.97 28.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.751 -179.229 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -142.83 175.18 10.02 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.077 179.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 99.4 p -143.37 151.31 40.28 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.089 0.471 . . . . 0.0 112.031 -179.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' HIS . . . . . 0.412 ' HD2' ' CE1' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -118.07 174.8 6.0 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.799 179.544 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 32.1 mm -130.44 138.71 53.14 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.333 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . 0.431 ' CE1' ' HD2' ' A' ' 21' ' ' HIS . 12.4 p90 -149.2 174.78 12.0 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.348 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 41.4 t -95.06 123.64 47.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.845 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.532 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 12.1 tptp -75.71 -40.74 55.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.746 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -175.88 176.23 1.85 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.817 0.342 . . . . 0.0 110.972 -179.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 3.7 mp -136.88 134.12 48.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.808 179.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 11.7 t -83.69 148.48 27.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -72.56 154.78 40.62 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.912 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 58.15 32.41 21.98 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.973 -179.443 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 60.9 m -112.57 166.58 11.2 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 7' ' ' LYS . 22.1 mt -57.18 -41.18 78.78 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.976 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.57 -44.63 81.74 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.982 179.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.32 -39.92 92.3 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.004 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.62 -41.45 60.38 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.707 179.342 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -62.1 -33.67 74.88 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.414 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.78 34.92 88.79 Favored Glycine 0 C--N 1.335 0.494 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.799 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -116.12 -41.1 3.2 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 120.468 0.175 . . . . 0.0 111.419 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 29.9 mm -86.82 125.45 40.84 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-O 120.71 0.291 . . . . 0.0 111.33 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -132.11 157.32 44.54 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -60.32 120.72 10.39 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.83 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.52 -14.13 46.82 Favored Glycine 0 CA--C 1.523 0.552 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.899 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -54.03 126.66 23.46 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.933 0.366 . . . . 0.0 111.125 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.9 t -99.44 106.17 18.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 22.0 t -82.94 136.3 23.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-O 121.049 0.452 . . . . 0.0 111.462 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 6.2 tt -109.65 -40.1 4.94 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.48 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -134.82 148.22 50.13 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -179.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 8.1 mm -123.52 119.0 56.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.628 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 20.1 p30 41.11 38.74 0.77 Allowed 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.136 0.574 . . . . 0.0 112.01 -179.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 87.21 37.77 8.13 Favored Glycine 0 C--N 1.336 0.582 0 C-N-CA 120.952 -0.642 . . . . 0.0 113.286 179.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.25 121.01 8.09 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.977 0.389 . . . . 0.0 110.616 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 23.1 t -66.5 140.33 19.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.518 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.04 24.33 10.2 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.726 -179.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -97.9 148.1 23.78 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.822 0.344 . . . . 0.0 110.312 178.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 70.24 1.29 3.5 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.354 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.19 168.23 9.2 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.744 0.307 . . . . 0.0 110.966 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 7.3 m -72.43 145.78 47.39 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.844 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 39.0 tp -54.22 -30.21 49.22 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.943 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.22 -44.07 97.87 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.57 179.567 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -54.96 -45.43 74.94 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.28 -39.57 93.38 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.997 178.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' B' ' 63' ' ' THR . 0.0 OUTLIER -62.72 -31.89 72.89 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.478 179.058 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' THR . . . . . 0.438 ' N ' ' HG3' ' B' ' 62' ' ' LYS . 0.2 OUTLIER -71.64 -39.18 70.56 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.89 179.506 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 mt -54.98 -37.46 66.57 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.496 179.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 34.0 mt -69.86 -32.03 50.34 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.649 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.46 -45.47 59.38 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.665 0.269 . . . . 0.0 110.747 179.497 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.49 -25.95 66.45 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.364 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' SER . . . . . 0.537 ' CB ' ' HG ' ' B' ' 72' ' ' LEU . 2.3 m -74.52 84.92 2.03 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.911 0.386 . . . . 0.0 110.607 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -72.56 -32.05 65.75 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.64 -179.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -114.89 -107.05 2.65 Favored Glycine 0 C--N 1.337 0.601 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.758 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.76 150.01 36.25 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 120.853 0.358 . . . . 0.0 111.358 -179.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . 0.537 ' HG ' ' CB ' ' B' ' 68' ' ' SER . 0.5 OUTLIER -126.95 131.02 51.19 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.791 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 49.5 mttt -119.26 133.39 55.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.244 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 8.6 mtp -139.42 145.6 39.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.963 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 24.8 t -113.72 110.92 33.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.559 179.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 5.2 m -100.73 163.11 3.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.237 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.049 179.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.13 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.414 ' HB ' HG23 ' B' ' 76' ' ' VAL . 32.8 m . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 120.721 0.296 . . . . 0.0 111.315 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 42.7 mttm -112.96 131.01 55.92 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.4 t -107.04 113.93 44.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.247 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -116.94 123.2 46.4 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.221 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -121.63 160.27 24.74 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.781 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.1 t -128.21 102.72 8.86 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.15 0 CA-C-O 120.855 0.359 . . . . 0.0 111.343 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.437 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 2.0 ttmt -89.73 53.51 2.59 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.282 0.563 . . . . 0.0 110.818 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.7 p -149.02 -43.92 0.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.301 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.5 mtp180 -51.32 -57.01 10.03 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.215 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.45 138.66 43.26 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.687 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -74.4 79.64 1.89 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.358 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -171.82 149.22 2.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.781 -179.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -72.3 175.02 6.49 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.916 0.389 . . . . 0.0 111.119 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.437 ' CZ ' ' HB2' ' A' ' 7' ' ' LYS . 59.4 m-85 -65.58 -31.56 72.67 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.424 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.12 48.47 73.82 Favored Glycine 0 C--N 1.338 0.667 0 C-N-CA 121.117 -0.564 . . . . 0.0 112.741 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 pp -118.04 124.05 47.16 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.782 0.325 . . . . 0.0 110.976 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.459 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 1.1 mmt180 -75.42 111.93 11.21 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.445 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.413 HD12 HG21 ' B' ' 22' ' ' ILE . 0.6 OUTLIER -99.77 133.57 43.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.431 -179.396 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -134.45 175.7 9.29 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.653 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.8 p -141.57 151.9 43.6 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.002 0.43 . . . . 0.0 111.826 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.409 ' HD2' ' CE1' ' B' ' 23' ' ' PHE . 0.2 OUTLIER -119.04 177.81 4.73 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.578 179.614 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 29.3 mm -132.47 140.77 46.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.814 0.34 . . . . 0.0 111.203 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.418 ' CE1' ' HD2' ' B' ' 21' ' ' HIS . 12.5 p90 -149.41 176.42 10.6 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.363 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 26.2 t -102.75 106.86 20.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.866 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.464 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 6.0 tptp -59.45 -35.71 74.57 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.304 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -175.11 175.21 2.31 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.94 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.4 mp -130.65 137.46 56.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.923 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.7 m -77.4 148.88 35.26 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.842 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.0 155.45 34.95 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.836 0.35 . . . . 0.0 111.25 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 54.05 34.61 20.24 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.179 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.2 p -109.41 173.12 6.47 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.911 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.0 mt -60.85 -37.03 80.69 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.795 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.66 -45.78 91.24 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.044 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.69 -39.25 90.78 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.183 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -74.23 -39.22 63.21 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.731 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -68.26 -35.03 77.26 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.348 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.31 44.81 92.95 Favored Glycine 0 C--N 1.336 0.532 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.585 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.413 ' HB3' HG13 ' B' ' 3' ' ' VAL . 2.5 m-80 -123.78 -46.39 1.99 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.481 0.182 . . . . 0.0 111.418 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.6 mp -83.5 124.24 39.45 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.138 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -118.02 155.97 29.38 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -61.33 110.8 1.52 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.725 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.49 4.95 43.12 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 121.002 -0.618 . . . . 0.0 113.106 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.77 131.99 47.1 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.916 0.358 . . . . 0.0 110.934 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 30.9 t -93.08 115.18 31.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.925 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.9 t -91.27 136.81 23.27 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.386 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.6 mp -112.14 -39.6 4.42 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.179 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -132.47 151.95 51.71 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.84 0.353 . . . . 0.0 111.341 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 38.5 mt -140.43 124.0 17.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.608 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 57.99 31.84 21.16 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.267 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.69 32.79 40.1 Favored Glycine 0 C--N 1.337 0.607 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.736 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -144.02 137.86 27.96 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.714 0.257 . . . . 0.0 110.672 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.9 t -62.93 145.74 13.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.4 m -128.52 34.86 4.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.331 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -103.74 144.0 32.05 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.709 0.29 . . . . 0.0 110.319 179.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 67.91 7.52 5.83 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.868 -179.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -93.29 159.83 15.09 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.757 0.313 . . . . 0.0 111.005 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.3 m -77.25 148.45 35.77 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.804 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 32.7 tp -55.19 -30.23 59.5 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.964 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.71 -43.13 90.08 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.978 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.91 -41.01 86.24 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.829 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.33 -37.08 74.41 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.612 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.3 mmtt -65.11 -35.91 82.62 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.503 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.71 -43.79 92.31 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.446 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.12 -35.56 64.79 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.739 0.304 . . . . 0.0 110.491 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 22.7 mt -71.72 -32.47 45.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.698 179.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -75.88 -37.95 58.35 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.773 0.321 . . . . 0.0 110.846 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -59.87 -33.34 71.69 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.206 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.6 114.86 2.68 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.816 0.341 . . . . 0.0 111.538 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.78 -35.79 64.98 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.09 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -149.47 -67.51 0.01 OUTLIER Glycine 0 C--N 1.334 0.449 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.731 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.5 128.52 35.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.594 0.235 . . . . 0.0 111.315 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -113.93 124.14 51.46 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.916 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.6 mttm -102.22 138.84 38.63 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.83 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 9.0 mtp -146.5 119.66 8.87 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.839 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 22.3 t -98.61 111.26 27.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.692 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 10.3 m -106.71 170.23 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.437 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.24 146.44 28.44 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.379 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.31 -48.08 1.19 Allowed 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.127 179.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -74.06 125.42 28.27 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.228 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -142.43 25.99 1.82 Allowed 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.4 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.5 mt 65.69 151.61 0.05 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.059 0.457 . . . . 0.0 111.566 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.153 -0.927 . . . . 0.0 110.951 -179.829 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 8.6 m . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 120.743 0.306 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -99.02 124.97 44.39 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.004 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . 0.413 HG13 ' HB3' ' A' ' 38' ' ' ASN . 24.4 t -103.61 125.08 58.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.713 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.89 109.73 11.51 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.18 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -100.0 158.33 15.9 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.651 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 15.8 t -135.51 98.65 2.1 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 CA-C-O 120.962 0.41 . . . . 0.0 111.228 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -81.2 124.4 29.25 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.594 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 1.3 m -139.67 -58.65 0.57 Allowed 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.42 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.88 131.69 51.49 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.915 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.37 -30.8 71.45 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.46 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -98.31 25.49 6.2 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.348 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -139.83 107.29 5.56 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.589 0.233 . . . . 0.0 110.93 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -110.25 169.94 8.41 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.858 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -58.72 -42.77 89.48 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.025 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 51.4 53.86 26.46 Favored Glycine 0 C--N 1.337 0.602 0 C-N-CA 121.306 -0.473 . . . . 0.0 112.995 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 pp -119.21 117.94 29.98 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 120.845 0.355 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.464 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -71.7 114.96 10.33 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.544 179.893 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.88 137.33 37.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.577 -179.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.413 ' CB ' ' CZ ' ' A' ' 23' ' ' PHE . . . -139.54 179.52 6.51 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.749 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 60.6 p -147.63 154.57 40.81 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.984 0.421 . . . . 0.0 111.753 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' HIS . . . . . 0.418 ' HD2' ' CE1' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -122.03 176.93 5.54 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.694 179.845 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . 0.413 HG21 HD12 ' A' ' 18' ' ' LEU . 34.8 mm -131.22 138.3 53.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-O 120.828 0.347 . . . . 0.0 111.292 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.409 ' CE1' ' HD2' ' A' ' 21' ' ' HIS . 9.9 p90 -147.62 175.29 10.99 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.0 t -105.27 112.95 40.91 Favored 'Isoleucine or valine' 0 C--O 1.233 0.184 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.982 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.459 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 5.3 tptt -62.72 -38.78 91.82 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.107 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -174.57 174.13 2.76 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 2.9 mt -127.09 133.9 67.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.832 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 37.6 m -73.64 143.27 46.36 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -70.89 148.24 47.97 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.032 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 59.48 38.76 22.44 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.318 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.75 171.36 7.8 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.124 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 45.3 mt -55.54 -44.59 76.89 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.212 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.9 -50.62 73.32 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.456 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.82 -36.6 83.73 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.107 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.32 -38.67 71.69 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.182 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.2 -34.29 59.28 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.47 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.84 43.73 65.2 Favored Glycine 0 C--N 1.334 0.438 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.911 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -118.12 -44.15 2.71 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.628 0.214 . . . . 0.0 111.363 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 28.2 mt -86.12 136.38 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.154 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -128.98 159.21 36.61 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -64.46 113.84 3.93 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.8 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.72 6.11 47.06 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 121.041 -0.6 . . . . 0.0 113.062 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.34 127.72 33.99 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 117.07 0.435 . . . . 0.0 110.783 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 31.7 t -90.56 101.94 12.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.184 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.691 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 25.9 t -80.6 132.67 31.15 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.454 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 8.4 tt -106.83 -42.88 4.82 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.892 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 5.0 mtpm? -127.83 157.96 39.02 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.862 0.363 . . . . 0.0 111.79 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 22.2 mt -138.87 119.94 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.575 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 14.2 p30 44.25 33.99 0.94 Allowed 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.967 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 88.92 37.08 7.43 Favored Glycine 0 C--N 1.335 0.476 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.873 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -152.05 122.08 7.11 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.755 0.277 . . . . 0.0 110.814 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 40.0 t -71.05 139.24 20.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.786 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -122.83 47.59 1.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.482 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.66 142.31 35.62 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.824 0.345 . . . . 0.0 110.298 179.014 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 69.64 6.42 5.7 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.06 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 3.5 ttm -89.15 -172.22 3.57 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.723 0.297 . . . . 0.0 110.886 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 77.3 p -101.17 149.92 23.49 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.834 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 9.7 tp -56.4 -30.01 62.23 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.818 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -43.09 93.62 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.84 -41.16 86.26 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.754 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.57 -36.56 71.85 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.597 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -67.53 -34.89 78.01 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.627 179.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.27 -41.18 70.35 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.23 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.17 -39.47 69.57 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.848 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 42.2 mt -68.8 -31.47 50.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.7 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -69.79 -41.14 75.48 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.746 0.308 . . . . 0.0 110.853 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -74.53 -25.25 59.2 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.597 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 1.2 m -73.92 73.16 1.62 Allowed 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.988 0.423 . . . . 0.0 110.547 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.05 83.99 7.38 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.839 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 140.29 -126.75 3.28 Favored Glycine 0 C--N 1.333 0.399 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.537 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -79.7 131.35 35.93 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.764 0.316 . . . . 0.0 111.154 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.68 118.87 35.54 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.709 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 20.8 ttpp -117.62 105.95 12.59 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.984 0.421 . . . . 0.0 110.642 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -114.93 156.1 25.65 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.82 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 18.7 t -116.8 116.97 53.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.414 HG23 ' HB ' ' A' ' 1' ' ' THR . 6.6 m -101.92 150.84 5.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.404 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -101.76 117.73 35.48 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.736 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -138.56 160.8 38.67 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.746 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 19.3 p-10 -158.73 36.01 0.22 Allowed 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.045 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 54.81 32.23 17.19 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.354 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -121.47 112.43 18.52 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.392 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.007 -0.996 . . . . 0.0 111.208 -179.689 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.428 ' HB ' ' O ' ' B' ' 76' ' ' VAL . 6.8 p . . . . . 0 N--CA 1.493 1.679 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.68 135.63 54.37 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.839 0.352 . . . . 0.0 111.343 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.418 HG21 ' HB3' ' B' ' 38' ' ' ASN . 25.1 t -110.77 130.78 63.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.863 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.9 m -128.8 106.23 8.78 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 120.787 0.327 . . . . 0.0 111.011 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 32.5 mt -100.98 159.72 14.98 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.867 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.1 t -130.64 102.21 6.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.225 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.468 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 0.2 OUTLIER -84.59 146.33 27.58 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.869 0.366 . . . . 0.0 111.401 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.8 p -93.44 -16.7 24.27 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.993 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 56.84 29.27 15.81 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 120.651 0.262 . . . . 0.0 111.612 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.6 tptm -118.56 -63.44 1.41 Allowed 'General case' 0 CA--C 1.528 0.118 0 CA-C-O 120.663 0.268 . . . . 0.0 110.379 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -158.07 34.6 0.25 Allowed 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.203 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -146.07 118.16 8.3 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.786 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -103.73 171.32 7.42 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.468 ' CZ ' ' HB2' ' A' ' 7' ' ' LYS . 56.2 m-85 -66.43 -26.96 67.47 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.541 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.54 41.81 82.38 Favored Glycine 0 C--N 1.337 0.616 0 C-N-CA 121.339 -0.457 . . . . 0.0 113.27 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 pp -113.71 121.89 45.46 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-O 120.839 0.352 . . . . 0.0 110.933 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.423 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -82.91 109.81 17.36 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.744 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.93 131.62 45.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.404 ' HB1' ' OD1' ' A' ' 55' ' ' ASN . . . -129.1 171.39 12.44 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.767 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.6 p -133.73 150.05 51.49 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 120.968 0.413 . . . . 0.0 111.727 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -113.18 178.12 4.39 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.876 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.413 HG13 ' HB ' ' A' ' 53' ' ' THR . 21.4 mm -131.7 136.37 57.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-O 120.807 0.337 . . . . 0.0 111.614 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.4 ' CZ ' ' CB ' ' B' ' 19' ' ' ALA . 18.3 p90 -149.5 179.6 7.84 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 26.3 t -107.76 116.25 50.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.033 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.464 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 8.4 tptm -62.93 -44.25 96.58 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.424 ' HG3' ' HB2' ' B' ' 17' ' ' ARG . 0.0 OUTLIER -174.6 175.04 2.57 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.881 0.372 . . . . 0.0 111.084 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.2 mp -129.79 143.5 40.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.141 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.8 t -80.56 149.79 29.82 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.344 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -81.04 147.53 30.11 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 60.02 35.59 21.46 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.231 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.5 m -113.72 179.45 3.96 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.875 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 40.6 mt -58.61 -38.43 77.97 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.777 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.47 -38.74 81.35 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.17 -45.62 92.49 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.126 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.77 -41.5 75.08 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.941 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -64.94 -37.89 89.15 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.318 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.12 37.26 94.62 Favored Glycine 0 C--N 1.335 0.496 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.504 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -109.01 -54.81 2.48 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-O 120.514 0.197 . . . . 0.0 111.079 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.4 mp -69.2 130.25 34.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.932 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -125.7 150.67 47.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -62.93 116.14 5.02 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.4 -12.66 51.35 Favored Glycine 0 CA--C 1.523 0.572 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.985 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -55.92 137.66 50.09 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.991 0.395 . . . . 0.0 111.256 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.8 t -100.12 109.2 24.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.9 t -86.9 133.57 29.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.439 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -98.71 -41.14 7.82 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.189 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -133.55 155.8 48.95 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.017 0.437 . . . . 0.0 111.699 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.1 mt -139.14 120.91 16.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.514 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 58.22 31.18 20.48 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.443 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.76 33.58 24.14 Favored Glycine 0 C--N 1.334 0.47 0 C-N-CA 120.83 -0.7 . . . . 0.0 113.252 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -153.0 131.72 12.35 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.865 0.332 . . . . 0.0 110.803 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 18.0 t -73.73 139.9 18.61 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.407 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.413 ' HB ' HG13 ' A' ' 22' ' ' ILE . 0.8 OUTLIER -114.48 19.67 15.98 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -76.34 140.04 41.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.005 0.431 . . . . 0.0 110.518 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.404 ' OD1' ' HB1' ' A' ' 19' ' ' ALA . 7.2 m-20 63.4 17.87 10.62 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.812 -179.337 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.7 ttm -104.94 160.06 15.32 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.784 0.326 . . . . 0.0 110.817 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.0 t -64.98 137.39 57.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.441 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.414 HD23 ' HB2' ' B' ' 55' ' ' ASN . 11.9 tp -54.48 -35.15 62.77 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.747 0.308 . . . . 0.0 110.748 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.24 -39.42 94.56 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.882 179.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -58.89 -45.6 89.87 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.779 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.66 -39.01 72.98 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.928 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -63.61 -38.83 92.62 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.76 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.88 -43.23 85.93 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.53 -37.63 68.19 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.787 0.327 . . . . 0.0 110.33 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 33.4 mt -75.83 -30.89 21.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.831 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -65.57 -48.54 72.04 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.784 0.326 . . . . 0.0 110.78 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.0 ttp-105 -65.65 -28.92 69.45 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.247 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.426 ' CB ' ' HG ' ' A' ' 72' ' ' LEU . 4.3 m -65.41 95.51 0.21 Allowed 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.72 0.295 . . . . 0.0 110.888 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -120.64 47.81 1.72 Allowed 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.921 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -178.37 -62.31 0.07 OUTLIER Glycine 0 C--N 1.334 0.424 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.882 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -138.21 123.24 19.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.629 0.252 . . . . 0.0 110.775 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.473 ' HB2' ' CE1' ' B' ' 14' ' ' TYR . 0.4 OUTLIER -108.93 137.12 47.36 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.026 -179.905 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -125.4 134.11 52.26 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.803 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -137.16 150.32 47.86 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.958 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.6 t -121.45 112.62 36.11 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.089 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 17.4 t -101.54 159.32 4.11 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.898 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -93.12 141.38 28.47 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.72 0.295 . . . . 0.0 111.073 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.3 164.0 15.87 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.358 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 64.18 90.34 0.08 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.316 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -71.65 -39.95 70.01 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.199 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.0 pp -69.52 145.71 52.43 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.795 0.331 . . . . 0.0 110.838 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.495 -0.764 . . . . 0.0 111.058 -179.827 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 120.733 0.302 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.31 124.04 49.21 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.894 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 22.3 t -103.52 127.49 57.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.107 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 1.7 m -128.53 105.81 8.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.869 0.366 . . . . 0.0 110.743 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 73.0 mt -100.36 157.62 16.48 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.779 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 10.5 t -128.58 105.91 13.74 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-O 120.886 0.374 . . . . 0.0 111.315 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 1.9 ttmm -84.71 145.83 27.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.896 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 2.0 m -127.69 172.99 10.29 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.779 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.93 88.97 5.29 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.392 -179.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.33 -177.75 1.3 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.031 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -90.97 74.9 6.39 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.919 0.39 . . . . 0.0 111.475 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -173.25 73.21 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.909 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -69.67 -178.11 1.4 Allowed 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.027 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . 0.473 ' CE1' ' HB2' ' A' ' 72' ' ' LEU . 25.5 m-85 -55.05 -37.45 66.72 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.253 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.76 46.36 93.54 Favored Glycine 0 C--N 1.337 0.601 0 C-N-CA 121.156 -0.545 . . . . 0.0 113.191 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 pp -117.2 119.78 36.25 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.849 0.357 . . . . 0.0 110.737 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.464 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -77.99 117.52 19.39 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.789 -179.761 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.49 138.58 37.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.212 -179.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.4 ' CB ' ' CZ ' ' A' ' 23' ' ' PHE . . . -140.13 179.09 6.83 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.399 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 57.7 p -143.76 157.99 43.99 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.922 0.392 . . . . 0.0 111.65 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -118.92 178.24 4.56 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.722 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -134.15 132.71 55.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.684 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -144.63 177.33 8.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.043 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -105.45 116.4 49.18 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.177 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.423 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 4.3 tptp -66.43 -44.88 81.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.966 179.539 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -176.95 174.26 1.75 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.896 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 3.9 mp -125.07 135.5 63.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.74 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 39.2 t -83.89 148.45 26.94 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.251 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -69.72 156.59 38.75 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 58.98 36.64 24.53 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.924 -179.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 23.1 p -118.9 168.9 10.34 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.424 ' HB2' ' HA ' ' A' ' 14' ' ' TYR . 26.3 mt -62.53 -38.45 90.03 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.112 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.31 -41.13 98.27 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.61 0.243 . . . . 0.0 111.035 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.2 -42.78 96.5 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.107 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -71.02 -43.02 68.79 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.679 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -63.46 -37.22 86.46 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.312 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.1 30.42 77.71 Favored Glycine 0 C--N 1.335 0.508 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.816 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.418 ' HB3' HG21 ' A' ' 3' ' ' VAL . 10.7 m-80 -110.15 -33.21 6.73 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 111.578 0.214 . . . . 0.0 111.578 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 26.4 mt -91.67 132.44 36.11 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-O 120.705 0.288 . . . . 0.0 111.133 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -130.97 162.68 29.21 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.024 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -67.71 124.33 22.97 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.819 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.19 -17.74 56.56 Favored Glycine 0 CA--C 1.521 0.424 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.917 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -54.21 120.3 6.3 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.936 0.368 . . . . 0.0 110.941 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 41.0 t -86.1 103.27 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.303 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 19.9 t -71.56 108.81 3.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 CA-C-O 121.022 0.439 . . . . 0.0 111.331 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.2 mp -74.43 -50.14 19.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.087 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 21.3 mttp -139.13 149.73 44.84 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.905 0.383 . . . . 0.0 111.241 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 45.9 mt -131.56 122.7 50.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.529 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 57.74 35.13 25.25 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.837 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.95 33.71 44.92 Favored Glycine 0 C--N 1.337 0.601 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.988 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.63 131.05 19.76 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.737 0.268 . . . . 0.0 110.611 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 17.4 t -61.71 139.4 20.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.162 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -115.09 36.29 3.96 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.092 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -104.15 148.45 26.27 Favored 'General case' 0 N--CA 1.458 -0.049 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 178.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . 0.414 ' HB2' HD23 ' A' ' 58' ' ' LEU . 6.4 p30 54.13 15.63 0.96 Allowed 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.15 -179.088 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -95.24 138.2 33.26 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.666 0.27 . . . . 0.0 110.432 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 4.6 m -56.73 146.64 25.2 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.978 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 42.9 tp -53.87 -32.83 54.51 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.729 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.57 -38.8 84.59 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.608 179.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -57.51 -42.11 82.14 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.48 -39.51 76.59 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.935 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 6.1 mttp -64.24 -39.51 94.11 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.486 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.85 -38.14 87.14 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.045 179.541 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 9.2 mt -55.73 -38.47 69.81 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.778 0.323 . . . . 0.0 110.296 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 8.5 mt -74.58 -31.4 27.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.81 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -69.07 -52.19 31.05 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.01 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -58.83 -31.3 68.37 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.323 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' SER . . . . . 0.409 ' CB ' ' HG ' ' B' ' 72' ' ' LEU . 2.0 m -60.45 116.15 4.1 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.213 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -60.93 -80.02 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.126 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -120.88 -67.25 0.27 Allowed Glycine 0 C--N 1.335 0.521 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.692 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -77.73 129.3 35.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.702 0.287 . . . . 0.0 110.945 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . 0.449 HD12 ' CE2' ' A' ' 14' ' ' TYR . 0.6 OUTLIER -115.11 147.99 39.53 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.06 121.26 33.82 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.789 179.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 14.0 mtp -127.97 123.44 34.8 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.738 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 29.7 t -98.17 119.07 45.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.747 0.308 . . . . 0.0 111.113 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.428 ' O ' ' HB ' ' A' ' 1' ' ' THR . 28.0 m -112.77 170.19 4.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.479 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -127.27 157.96 38.46 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.001 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 41.9 mtm180 65.94 -177.65 0.19 Allowed 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.289 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 56.91 79.31 0.19 Allowed 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.32 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -125.17 169.17 12.48 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.241 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -139.89 160.13 40.61 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.125 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.256 -0.878 . . . . 0.0 111.066 179.503 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.489 1.492 0 CA-C-O 120.569 0.223 . . . . 0.0 111.285 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.0 mttm -119.48 125.19 48.3 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.153 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.6 t -104.4 124.59 59.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.8 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.23 108.51 10.66 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 120.846 0.355 . . . . 0.0 110.937 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -103.45 160.41 14.74 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.794 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.3 t -128.77 99.69 5.09 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.977 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.446 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 1.5 ttmm -85.7 143.97 28.07 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.081 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.3 t -91.12 161.81 14.94 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -98.25 32.78 2.36 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.041 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.63 -72.94 0.7 Allowed 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.348 179.621 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -172.6 39.33 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -110.4 129.5 55.75 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.068 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -108.38 155.34 20.66 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.446 ' CZ ' ' HB2' ' A' ' 7' ' ' LYS . 76.0 m-85 -61.1 -38.16 85.34 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.363 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.36 41.1 53.52 Favored Glycine 0 C--N 1.336 0.564 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.817 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 pp -127.09 126.26 42.69 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.788 0.327 . . . . 0.0 110.911 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.408 ' CB ' ' HB3' ' B' ' 25' ' ' LYS . 1.6 mtt180 -83.03 117.09 22.58 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.457 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.28 132.85 42.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.083 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -139.2 166.78 23.64 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.16 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 87.8 p -118.6 149.76 40.82 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.844 0.354 . . . . 0.0 111.226 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -115.62 174.92 5.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.403 HG13 HG23 ' A' ' 53' ' ' THR . 34.6 mm -129.65 136.89 58.13 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.942 179.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.41 ' CZ ' ' HB2' ' B' ' 19' ' ' ALA . 13.4 p90 -144.14 173.12 12.01 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.3 t -98.09 114.58 35.91 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.831 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.641 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 4.5 tttm -66.92 -38.97 87.2 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.511 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -179.56 178.54 0.66 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.919 0.39 . . . . 0.0 111.196 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.1 mp -128.73 144.38 38.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.983 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.4 t -84.58 158.51 20.88 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.902 0.382 . . . . 0.0 111.039 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -84.66 143.56 29.14 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.248 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 59.94 33.71 21.5 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.572 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.1 m -112.05 175.52 5.4 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.581 -0.282 . . . . 0.0 111.069 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.43 ' HB2' ' HA ' ' B' ' 14' ' ' TYR . 72.0 mt -55.26 -45.42 76.1 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.958 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.51 -45.0 96.04 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.216 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.3 -40.51 96.07 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.82 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -70.83 -43.18 69.11 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.745 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.07 -40.86 95.27 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.187 179.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.53 32.72 82.47 Favored Glycine 0 C--N 1.334 0.464 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.541 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.451 ' HB3' HG13 ' B' ' 3' ' ' VAL . 2.7 m-80 -109.6 -32.38 7.13 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 111.478 0.177 . . . . 0.0 111.478 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.407 HG13 HG13 ' B' ' 3' ' ' VAL . 2.0 mt -93.1 134.89 29.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.315 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -123.5 139.56 53.89 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.602 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.06 128.54 37.31 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.768 0.318 . . . . 0.0 110.712 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.44 -21.16 42.04 Favored Glycine 0 CA--C 1.521 0.439 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.714 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -56.41 148.88 17.99 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.829 0.347 . . . . 0.0 111.279 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.8 t -106.52 117.73 52.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.841 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.9 t -95.02 119.93 43.75 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.246 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.8 tt -88.99 -45.33 9.74 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.99 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -124.14 151.77 43.57 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.992 0.425 . . . . 0.0 111.455 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 36.3 mt -139.59 121.57 16.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.509 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 59.51 35.44 22.76 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.392 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.3 28.89 63.05 Favored Glycine 0 C--N 1.336 0.573 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.821 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.71 145.98 37.2 Favored 'General case' 0 C--O 1.23 0.071 0 CA-C-N 116.673 0.237 . . . . 0.0 110.633 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.7 t -77.4 138.16 20.98 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.616 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.403 HG23 HG13 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -116.68 19.83 14.33 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.674 -179.85 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.15 150.52 27.39 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.298 179.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.6 p30 51.83 18.88 0.84 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.375 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.8 tpp -96.43 170.98 8.85 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.755 0.312 . . . . 0.0 110.78 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.0 m -80.0 143.46 34.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.739 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.07 -34.71 66.22 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.697 179.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.78 -38.56 73.41 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.558 179.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -56.85 -45.2 82.56 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.77 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.63 -38.53 75.14 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.9 -36.36 84.12 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.522 179.182 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.15 -41.54 97.13 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.0 mt -54.17 -36.18 63.1 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.287 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.2 mt -66.79 -34.34 69.38 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.823 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -77.03 -45.59 26.69 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.64 0.257 . . . . 0.0 111.012 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.9 ttp85 -66.27 -14.8 62.55 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.834 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 70.2 m -51.94 114.18 1.22 Allowed 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.84 0.352 . . . . 0.0 111.206 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.25 78.47 0.98 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.497 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 76.8 -93.56 1.05 Allowed Glycine 0 C--N 1.334 0.418 0 C-N-CA 121.14 -0.552 . . . . 0.0 112.184 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.18 141.94 49.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.828 0.346 . . . . 0.0 111.468 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.415 ' HB2' ' CE1' ' B' ' 14' ' ' TYR . 0.6 OUTLIER -112.27 146.02 38.93 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.852 179.892 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -127.17 123.65 37.2 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.504 179.325 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 41.8 mtm -130.53 131.33 45.02 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.856 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.1 t -108.14 112.99 42.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.976 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 19.9 m -110.81 175.6 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.793 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -99.69 135.82 40.54 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.012 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.76 149.82 0.08 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.299 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -138.72 107.4 5.91 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.328 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -123.47 86.43 2.57 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.488 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -79.32 136.4 37.0 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.883 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.092 -0.956 . . . . 0.0 111.223 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.494 1.756 0 CA-C-O 120.747 0.308 . . . . 0.0 111.426 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.08 136.23 52.68 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.759 0.314 . . . . 0.0 110.862 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . 0.451 HG13 ' HB3' ' A' ' 38' ' ' ASN . 44.0 t -106.2 129.92 58.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.065 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.28 105.81 8.8 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.561 179.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 86.4 mt -98.4 160.74 14.08 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.85 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 21.9 t -124.44 101.68 9.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.06 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.541 ' HB2' ' CZ ' ' B' ' 14' ' ' TYR . 0.2 OUTLIER -87.44 131.8 34.2 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.072 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 4.3 p -176.79 -177.86 0.82 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.79 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -86.57 54.78 3.28 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 121.009 0.433 . . . . 0.0 110.517 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -102.43 -53.8 2.81 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.727 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -130.17 -56.26 1.1 Allowed 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.798 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -179.71 -169.79 0.14 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.975 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -66.97 -178.38 0.75 Allowed 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.952 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . 0.541 ' CZ ' ' HB2' ' B' ' 7' ' ' LYS . 65.1 m-85 -59.21 -36.67 75.8 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.198 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.42 49.61 71.68 Favored Glycine 0 C--N 1.338 0.645 0 C-N-CA 121.235 -0.507 . . . . 0.0 112.885 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 pp -128.28 132.41 48.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.822 0.344 . . . . 0.0 111.162 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.641 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -88.84 127.76 35.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.344 179.481 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.73 150.55 46.08 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.062 0.458 . . . . 0.0 111.469 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.41 ' HB2' ' CZ ' ' A' ' 23' ' ' PHE . . . -145.7 178.45 8.14 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.956 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 53.7 p -129.47 153.62 47.78 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.031 0.443 . . . . 0.0 111.708 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -123.48 -177.18 3.64 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.469 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 33.4 mm -128.33 140.63 48.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.107 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -149.43 179.21 8.13 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.052 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 19.3 t -108.62 117.51 54.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.101 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.408 ' HB3' ' CB ' ' A' ' 17' ' ' ARG . 5.7 tptt -60.48 -50.65 72.72 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.08 179.527 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -176.54 159.46 1.9 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.937 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 3.6 mp -115.71 138.13 47.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.96 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 31.0 m -75.38 146.04 41.15 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -69.01 147.91 50.89 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.07 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 t70 59.98 41.45 17.51 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.028 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 23.6 p -114.02 176.62 4.96 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 13.3 mt -58.46 -37.6 75.79 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . 0.4 ' HB2' ' CD1' ' B' ' 39' ' ' ILE . . . -69.23 -41.9 76.39 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.251 179.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.02 -38.78 76.85 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.091 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -78.7 -35.16 45.41 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.823 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -68.08 -43.52 78.35 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.303 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.29 38.37 53.66 Favored Glycine 0 C--N 1.334 0.45 0 C-N-CA 120.955 -0.641 . . . . 0.0 112.484 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -122.82 -45.91 2.13 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.505 0.193 . . . . 0.0 111.339 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . 0.4 ' CD1' ' HB2' ' B' ' 33' ' ' ALA . 19.0 mt -80.92 130.66 35.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.106 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -137.02 162.2 33.97 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.117 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -69.17 128.7 37.57 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.667 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 96.08 -20.44 50.05 Favored Glycine 0 CA--C 1.523 0.536 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.808 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -54.57 117.96 3.78 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.913 0.356 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.0 t -87.31 112.24 22.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.059 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 20.3 t -86.41 114.97 26.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.164 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.46 -39.72 17.2 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.157 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 11.4 mtmt -131.27 153.69 49.28 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.182 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 30.2 mt -142.25 123.43 12.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.533 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 58.84 33.24 22.93 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.358 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.12 30.59 58.78 Favored Glycine 0 C--N 1.336 0.566 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.514 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 6.4 m -142.55 137.38 30.1 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.55 0.214 . . . . 0.0 110.609 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 30.4 t -68.92 143.13 15.36 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.754 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.46 37.87 4.31 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.557 -179.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.28 141.93 35.94 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.629 -0.26 . . . . 0.0 110.416 179.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 69.48 6.02 5.47 Favored 'General case' 0 CA--C 1.537 0.442 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.228 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -95.21 161.38 14.13 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.966 0.412 . . . . 0.0 111.11 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 2.4 p -72.22 145.93 47.65 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.713 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 18.8 tp -55.92 -30.08 61.09 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.168 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.7 -38.86 92.69 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.738 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -59.99 -39.86 87.15 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.855 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.23 -39.36 82.48 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.546 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 15.1 mtmt -62.72 -36.62 83.59 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.291 179.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.84 -37.87 85.3 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.993 179.459 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 2.3 mt -55.13 -35.05 64.27 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.81 0.338 . . . . 0.0 110.761 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 24.5 mt -75.9 -32.23 23.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.875 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -76.07 -48.3 21.32 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.223 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -57.38 -24.55 56.07 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.477 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 11.7 t -50.8 110.94 0.47 Allowed 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.276 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.41 61.06 4.72 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.112 0.482 . . . . 0.0 110.502 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 104.4 -79.54 0.3 Allowed Glycine 0 C--N 1.335 0.505 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.679 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -84.82 133.05 34.34 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.764 0.316 . . . . 0.0 111.456 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . 0.432 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 0.4 OUTLIER -108.08 141.91 39.06 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.673 179.514 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.93 123.18 40.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.583 179.373 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 4.7 mtp -129.1 125.46 37.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.685 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 15.5 t -98.2 122.21 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.456 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 14.3 t -100.25 159.29 3.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.555 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -92.77 117.24 29.79 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.794 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.37 160.02 14.73 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.416 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -120.53 107.61 13.07 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.666 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 59.54 76.74 0.34 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.185 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 9.0 tp -163.28 134.65 4.86 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.182 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 . . . . . 0 C--O 1.251 1.158 0 CA-C-O 118.534 -0.746 . . . . 0.0 111.089 179.49 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.5 p . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 120.546 0.212 . . . . 0.0 111.548 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.86 126.45 31.03 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.086 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.6 t -115.4 128.35 72.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.99 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.3 m -128.82 113.98 15.97 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 120.766 0.317 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.439 HD21 HD11 ' B' ' 39' ' ' ILE . 2.7 mm? -110.89 158.36 18.82 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.97 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 20.8 t -135.3 101.06 2.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.993 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.492 ' HG3' ' HA2' ' B' ' 70' ' ' GLY . 2.2 ptpt -73.98 138.16 43.97 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.081 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.5 t -86.01 169.48 13.17 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.136 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -83.78 69.8 10.26 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.066 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.84 -169.02 0.39 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.748 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -77.32 64.58 2.73 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.053 0.454 . . . . 0.0 110.593 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -145.85 85.38 1.69 Allowed 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.722 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -89.17 179.05 6.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.304 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.43 ' CZ ' ' HB2' ' B' ' 72' ' ' LEU . 14.5 m-85 -66.96 -30.08 70.11 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.93 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.84 47.41 89.01 Favored Glycine 0 C--N 1.335 0.501 0 C-N-CA 121.297 -0.478 . . . . 0.0 113.125 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.431 HD21 ' HE3' ' B' ' 74' ' ' MET . 1.9 pp -116.56 120.57 39.14 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.925 0.393 . . . . 0.0 111.058 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.502 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -72.79 122.42 21.52 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.827 -179.899 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.14 140.05 36.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.449 -179.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -146.37 172.17 13.91 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.154 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 90.5 p -139.3 152.7 47.44 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.991 0.424 . . . . 0.0 111.944 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.447 ' HD2' ' CE1' ' B' ' 23' ' ' PHE . 0.2 OUTLIER -123.75 -179.29 4.32 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.751 179.9 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 27.3 mm -131.63 142.54 42.9 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.098 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.467 ' CE1' ' HD2' ' B' ' 21' ' ' HIS . 11.6 p90 -149.02 179.44 7.88 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.18 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 25.6 t -103.02 112.84 37.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.027 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.541 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 9.8 tptt -58.35 -41.93 85.77 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.096 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -176.49 171.62 2.33 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.792 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 mp -126.58 141.51 45.79 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-O 120.786 0.327 . . . . 0.0 111.036 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.3 t -83.48 147.6 27.73 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.109 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.64 147.0 44.16 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.596 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.8 t0 58.85 49.35 9.98 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.585 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.92 169.27 14.15 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.959 -179.63 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.441 ' HB2' ' HA ' ' B' ' 14' ' ' TYR . 26.8 mt -55.39 -43.25 75.02 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.173 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.443 ' HA ' HD13 ' B' ' 5' ' ' LEU . . . -61.01 -48.1 83.38 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.132 179.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.97 -36.99 86.19 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.14 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -37.5 68.12 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.036 179.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.26 -33.76 65.44 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.537 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.1 41.0 61.21 Favored Glycine 0 C--N 1.333 0.407 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.723 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -122.55 -47.2 2.11 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.505 0.193 . . . . 0.0 111.166 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.437 HG23 HD12 ' A' ' 39' ' ' ILE . 30.9 mm -77.05 118.78 24.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.01 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.6 tp60 -117.37 154.31 31.53 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.646 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.18 109.13 0.7 Allowed 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.649 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.92 5.67 50.17 Favored Glycine 0 CA--C 1.525 0.675 0 C-N-CA 120.843 -0.694 . . . . 0.0 113.125 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.8 105.47 0.38 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.943 0.371 . . . . 0.0 110.838 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.2 t -74.7 105.4 3.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.679 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.0 t -86.42 128.12 39.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.448 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.8 tt -98.77 -38.76 8.94 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.116 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -134.55 152.81 52.04 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.852 0.358 . . . . 0.0 111.561 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 32.1 mt -139.37 115.34 9.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.679 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 49.3 m-20 55.56 39.06 30.96 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.243 -179.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.68 25.86 64.17 Favored Glycine 0 CA--C 1.523 0.589 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.911 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -131.6 127.97 38.2 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.776 0.288 . . . . 0.0 110.437 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 13.8 t -63.74 141.3 18.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.939 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.0 40.35 3.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.101 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -112.95 140.88 47.38 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.68 0.276 . . . . 0.0 110.28 179.284 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.408 ' HB3' HD21 ' B' ' 58' ' ' LEU . 11.9 m-20 63.52 13.05 6.9 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.896 -179.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.9 tpp -97.61 164.14 12.55 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.788 0.327 . . . . 0.0 110.989 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.1 m -73.27 142.2 47.21 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.865 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.457 HD22 ' HB2' ' B' ' 55' ' ' ASN . 12.5 tp -54.28 -33.81 59.48 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.151 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.28 -37.13 84.71 Favored 'General case' 0 CA--C 1.527 0.077 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.882 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -55.11 -41.94 72.3 Favored 'General case' 0 C--O 1.232 0.184 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.0 -38.23 90.37 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.37 178.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.475 ' HG3' ' N ' ' A' ' 63' ' ' THR . 0.0 OUTLIER -63.61 -33.03 74.71 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.505 179.217 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.475 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 0.3 OUTLIER -71.01 -40.07 72.01 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.967 179.774 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.7 mt -54.25 -38.0 65.31 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.926 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 34.0 mt -70.62 -31.79 47.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.063 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -76.37 -50.67 13.6 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.002 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -67.01 -18.24 65.28 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.0 t -52.73 113.77 1.19 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.726 0.298 . . . . 0.0 111.28 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -88.64 83.16 6.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.598 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.42 ' O ' ' HB3' ' B' ' 7' ' ' LYS . . . 91.64 -120.95 6.18 Favored Glycine 0 C--N 1.334 0.428 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.788 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.39 145.5 53.83 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 120.722 0.296 . . . . 0.0 111.545 -179.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.14 132.24 54.37 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.218 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.44 130.74 55.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.559 179.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 10.1 mtp -139.61 129.68 25.07 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.773 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.5 t -99.22 111.27 28.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.963 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 30.8 m -113.85 172.56 3.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.195 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.97 103.7 12.79 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.77 179.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.22 26.57 10.55 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.928 179.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.92 36.6 4.19 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.718 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 57.84 32.39 21.85 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.224 -179.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.2 87.56 7.35 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.928 0.394 . . . . 0.0 110.52 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.825 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 19.7 p . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -128.55 137.28 51.66 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.695 0.283 . . . . 0.0 111.025 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . 0.401 HG12 ' CD2' ' B' ' 5' ' ' LEU . 33.2 t -115.14 123.33 70.67 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.131 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 7.1 m -128.58 106.58 9.06 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 120.837 0.351 . . . . 0.0 111.155 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 33' ' ' ALA . 3.8 mm? -98.36 160.47 14.26 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.773 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 18.4 t -125.72 99.42 5.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-O 120.83 0.348 . . . . 0.0 111.171 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.42 ' HB3' ' O ' ' A' ' 70' ' ' GLY . 17.5 ttmt -85.7 100.48 12.03 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.841 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.75 124.74 33.91 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.926 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 9.8 mtm180 64.36 -175.04 0.17 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.45 24.28 7.53 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.037 179.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -120.03 -38.06 3.0 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.397 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -74.0 85.09 1.78 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.839 0.352 . . . . 0.0 111.015 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -76.61 161.65 28.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . 0.441 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 72.5 m-85 -74.3 -38.85 63.24 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.555 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.62 27.56 72.31 Favored Glycine 0 CA--C 1.522 0.483 0 C-N-CA 120.935 -0.65 . . . . 0.0 113.142 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 pp -110.2 120.5 42.64 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.956 0.378 . . . . 0.0 110.601 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.541 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 16.1 ttt-85 -77.82 123.32 26.58 Favored 'General case' 0 N--CA 1.461 0.102 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.079 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.7 143.31 27.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.363 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.403 ' HB1' ' HB2' ' A' ' 25' ' ' LYS . . . -148.24 175.05 11.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.818 179.465 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 87.5 p -142.71 153.95 43.84 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.057 0.456 . . . . 0.0 111.902 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' HIS . . . . . 0.467 ' HD2' ' CE1' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -125.5 176.27 6.95 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.646 179.891 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 44.7 mm -129.08 139.17 52.56 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.071 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.447 ' CE1' ' HD2' ' A' ' 21' ' ' HIS . 10.2 p90 -144.61 178.42 7.98 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 120.895 0.379 . . . . 0.0 111.327 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 17.6 t -105.66 112.78 40.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.021 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.502 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 18.4 tptp -59.67 -39.4 84.35 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.17 179.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -177.8 173.93 1.52 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.929 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 3.4 mp -129.71 137.76 55.9 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.882 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 6.2 t -73.22 149.36 42.91 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.244 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 6.0 pm0 -74.87 148.91 39.77 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.049 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 58.07 31.03 20.16 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.393 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 12.0 p -101.46 177.67 4.86 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 120.749 0.309 . . . . 0.0 111.013 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.419 HD12 ' CD1' ' A' ' 14' ' ' TYR . 48.8 mt -59.49 -37.51 78.46 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.621 179.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.57 -35.97 75.87 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.992 179.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.32 -47.53 85.06 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.05 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 3.2 mmt180 -70.35 -36.43 74.19 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.586 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -67.89 -38.8 83.47 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.169 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.72 36.3 93.1 Favored Glycine 0 C--N 1.335 0.5 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.897 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -113.63 -37.79 4.49 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . 0.439 HD11 HD21 ' A' ' 5' ' ' LEU . 3.1 mt -91.91 134.4 30.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-O 120.684 0.278 . . . . 0.0 111.392 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -129.93 148.2 51.77 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.16 121.82 11.63 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.803 0.335 . . . . 0.0 111.001 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.52 -20.08 37.9 Favored Glycine 0 CA--C 1.522 0.503 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.779 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -55.66 135.69 51.08 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.767 0.318 . . . . 0.0 111.162 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 20.4 t -96.63 123.12 48.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.138 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 21.3 t -90.48 140.21 16.31 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.243 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.1 mp -109.67 -40.09 4.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -139.01 149.03 44.2 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.786 0.327 . . . . 0.0 111.285 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 29.3 mt -137.33 122.48 25.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.467 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 58.33 35.06 24.58 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.177 -179.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.95 28.96 59.71 Favored Glycine 0 C--N 1.335 0.504 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.774 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -141.15 130.77 24.04 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.667 0.233 . . . . 0.0 110.609 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 15.8 t -67.61 140.41 19.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.629 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.44 26.76 9.37 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.426 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.03 151.16 22.96 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 120.739 0.304 . . . . 0.0 110.43 179.204 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . 0.457 ' HB2' HD22 ' A' ' 58' ' ' LEU . 7.0 p30 51.84 16.18 0.47 Allowed 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.557 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 1.6 ttm -99.03 162.11 13.25 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.778 0.323 . . . . 0.0 110.724 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 30.9 t -71.94 145.83 48.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.632 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.408 HD21 ' HB3' ' A' ' 55' ' ' ASN . 46.9 tp -56.93 -31.95 65.47 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.907 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.1 -38.47 89.02 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.584 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -58.44 -44.74 89.29 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.706 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.16 -38.73 71.28 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.727 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -65.09 -41.33 95.07 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.541 179.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.13 -41.55 96.93 Favored 'General case' 0 C--N 1.334 -0.085 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.17 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.89 -39.75 66.03 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.747 0.308 . . . . 0.0 110.652 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 36.7 mt -76.58 -32.37 21.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -73.97 -38.53 64.15 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.798 0.332 . . . . 0.0 110.711 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.87 -21.11 60.21 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.757 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 43.5 p -55.96 116.23 2.86 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.088 0.471 . . . . 0.0 111.201 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -46.73 78.13 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.622 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . 0.492 ' HA2' ' HG3' ' A' ' 7' ' ' LYS . . . -160.23 -60.06 0.01 OUTLIER Glycine 0 C--N 1.333 0.367 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.602 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -87.22 114.22 23.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.806 0.336 . . . . 0.0 110.925 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . 0.43 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -101.39 143.0 31.95 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.017 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -125.75 122.57 36.63 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.639 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.431 ' HE3' HD21 ' A' ' 16' ' ' LEU . 2.2 mtp -127.1 132.84 50.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.899 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 21.7 t -107.0 116.27 50.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.996 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 24.8 t -105.23 149.13 8.89 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.061 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -93.39 110.87 22.42 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.847 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -141.85 -50.43 0.4 Allowed 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.991 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.29 164.3 16.24 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.302 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -97.73 37.65 1.37 Allowed 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.046 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 7.5 mt -104.38 162.41 13.25 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.94 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.445 -0.788 . . . . 0.0 111.397 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 120.779 0.323 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -97.46 140.19 32.26 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.09 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.408 HG11 HD12 ' B' ' 39' ' ' ILE . 27.2 t -116.44 125.64 73.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -129.16 105.42 8.16 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.647 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 60.6 mt -103.33 157.01 17.32 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.05 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 20.7 t -129.04 104.18 10.71 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.397 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.5 ttmt -93.86 127.13 39.44 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.9 p -88.9 166.08 14.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.678 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.19 94.3 0.07 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.097 -179.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 64.38 170.75 0.18 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.06 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 57.44 24.34 10.09 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.444 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -175.66 109.25 0.1 Allowed 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.501 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -129.21 154.28 46.93 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.075 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.467 ' CE1' ' HB2' ' B' ' 72' ' ' LEU . 27.4 m-85 -58.81 -41.81 87.7 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.057 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.54 51.37 43.83 Favored Glycine 0 C--N 1.337 0.589 0 C-N-CA 121.271 -0.49 . . . . 0.0 112.677 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 pp -121.39 121.61 37.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.924 0.392 . . . . 0.0 111.293 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.47 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -77.98 124.2 27.73 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.263 179.476 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.72 160.52 21.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.984 0.421 . . . . 0.0 111.452 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.44 ' HB3' ' CZ ' ' B' ' 23' ' ' PHE . . . -155.15 179.33 9.25 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.941 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.8 p -129.95 151.95 49.95 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.86 0.362 . . . . 0.0 111.511 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -123.69 177.33 5.75 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.963 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 31.0 mm -134.27 145.14 33.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 120.961 0.41 . . . . 0.0 111.199 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.418 ' CZ ' ' CB ' ' B' ' 19' ' ' ALA . 17.6 p90 -148.01 174.92 11.43 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.91 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.429 HG22 ' HB2' ' A' ' 43' ' ' ASP . 37.6 t -95.26 122.87 47.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.949 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.564 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 42.9 tptt -73.41 -46.3 49.5 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.216 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -173.75 175.96 2.79 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.786 0.327 . . . . 0.0 111.078 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.7 mm -121.18 144.68 29.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.9 t -90.7 139.89 30.3 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.943 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -73.88 146.52 44.0 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.612 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 57.96 48.42 13.37 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.016 0.436 . . . . 0.0 110.713 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.2 m -133.64 175.28 9.58 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.207 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.7 mt -58.44 -38.45 77.49 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.239 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.96 -47.69 76.7 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.222 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.0 76.86 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.222 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.36 -42.91 58.56 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.133 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.89 -37.51 81.84 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.689 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.56 32.46 74.95 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.674 -179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -114.0 -41.63 3.51 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.554 0.216 . . . . 0.0 111.239 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.435 ' CD1' HD23 ' B' ' 5' ' ' LEU . 15.8 mt -81.57 123.52 37.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.917 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -138.12 149.84 46.29 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.859 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -58.89 131.59 51.44 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.733 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.55 -23.02 36.5 Favored Glycine 0 CA--C 1.521 0.433 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.896 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.429 ' HB2' HG22 ' A' ' 24' ' ' VAL . 3.1 m-20 -56.03 117.02 3.33 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.811 0.305 . . . . 0.0 110.937 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.2 t -81.85 102.2 7.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.96 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.3 t -82.35 131.52 33.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.543 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.2 tt -110.62 -40.09 4.7 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.172 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 43.5 mttt -127.54 145.77 50.74 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.744 0.306 . . . . 0.0 111.653 -179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.9 mt -132.1 123.15 50.28 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.745 179.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 19.0 p30 43.81 35.93 1.2 Allowed 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.054 0.542 . . . . 0.0 111.912 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 85.03 38.5 9.19 Favored Glycine 0 C--N 1.335 0.498 0 C-N-CA 120.871 -0.68 . . . . 0.0 113.005 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.6 123.65 8.15 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.872 0.336 . . . . 0.0 110.546 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.7 t -66.97 140.89 18.67 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.625 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -117.03 26.67 9.63 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.214 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.8 149.97 21.32 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.787 0.327 . . . . 0.0 110.546 179.234 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.47 ' HB2' HD21 ' B' ' 58' ' ' LEU . 1.5 p-10 50.42 19.61 0.57 Allowed 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.449 -0.796 . . . . 0.0 112.272 -179.289 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.6 tpp -102.86 165.88 10.79 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.85 0.357 . . . . 0.0 110.692 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 57.8 p -73.27 138.28 45.41 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.595 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 25.2 tp -55.89 -36.17 67.33 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.588 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.88 -43.4 94.78 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.73 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.1 -41.77 84.25 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.545 179.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.74 -38.4 75.28 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.359 179.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -65.86 -37.92 87.45 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.25 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.64 -41.03 84.52 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.865 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.5 mt -54.4 -37.74 65.39 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.742 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 22.1 mt -75.78 -30.72 21.64 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.962 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -72.03 -55.8 6.76 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 120.758 0.313 . . . . 0.0 110.955 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -61.28 -25.37 67.05 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.582 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.81 113.46 1.33 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.806 0.336 . . . . 0.0 111.186 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.17 121.3 44.95 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.02 -138.63 14.42 Favored Glycine 0 C--N 1.333 0.387 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.872 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -70.06 129.35 39.21 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 120.659 0.266 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -105.99 147.91 28.3 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.213 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -127.09 135.19 50.41 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.705 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 7.8 mtm -139.45 118.27 12.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.693 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.7 t -98.14 119.26 45.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.958 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 30.2 m -115.08 164.84 11.1 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.71 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -101.63 104.11 14.95 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.094 179.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -141.95 -52.73 0.42 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.543 179.487 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -100.84 177.48 4.96 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.445 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -164.59 146.53 8.39 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.488 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.8 tp 62.58 84.27 0.14 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.186 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.761 -0.638 . . . . 0.0 111.081 -179.719 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 19.7 m . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 120.727 0.299 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 25.8 mttp -105.56 124.37 49.45 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.043 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 26.6 t -104.03 126.34 58.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.962 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.93 108.1 10.15 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 120.715 0.293 . . . . 0.0 111.341 -179.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.435 HD23 ' CD1' ' A' ' 39' ' ' ILE . 2.7 mm? -101.17 157.72 16.56 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.027 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 6.6 t -120.11 103.2 13.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 CA-C-O 120.715 0.293 . . . . 0.0 111.575 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.48 ' HB2' ' CZ ' ' B' ' 14' ' ' TYR . 2.4 ttmt -86.82 149.61 24.72 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.0 179.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 1.3 t 77.44 93.68 0.06 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.307 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -176.16 -72.82 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.544 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 4.7 tttm -107.71 173.34 6.36 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.476 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 28.7 p30 -75.14 57.3 0.84 Allowed 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 120.661 0.267 . . . . 0.0 111.157 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -150.59 130.74 13.55 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.84 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -85.74 -177.05 6.28 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.742 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . 0.48 ' CZ ' ' HB2' ' B' ' 7' ' ' LYS . 13.9 m-85 -53.71 -46.1 70.64 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.975 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.55 47.93 88.48 Favored Glycine 0 C--N 1.335 0.493 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.937 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 3.6 pp -128.5 124.5 36.23 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.806 0.336 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.564 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -96.04 129.76 43.23 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.682 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -126.76 146.76 50.11 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.959 0.409 . . . . 0.0 111.46 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.418 ' CB ' ' CZ ' ' A' ' 23' ' ' PHE . . . -133.91 -178.71 5.15 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.8 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 93.1 p -134.05 152.74 51.97 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.017 0.437 . . . . 0.0 111.909 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -128.05 179.98 5.29 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.849 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 34.6 mm -130.24 144.33 38.32 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.139 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.44 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 6.8 p90 -149.09 174.09 12.7 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.988 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 32.7 t -101.32 119.23 49.23 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.08 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.47 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 21.1 tptm -69.13 -37.5 78.35 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.371 179.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -175.72 174.23 2.24 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.732 0.301 . . . . 0.0 111.128 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 3.5 mp -138.24 134.05 43.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.726 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 6.9 t -74.22 155.23 38.54 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.302 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.77 152.06 24.87 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.924 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 57.82 31.43 20.5 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.046 -179.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.67 175.88 5.34 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.925 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 47.7 mt -57.96 -38.52 76.16 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.77 -40.04 88.08 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.073 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.1 -40.53 89.97 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.07 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -73.76 -40.87 63.16 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.888 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.07 -34.58 77.97 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.478 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.39 29.8 75.65 Favored Glycine 0 C--N 1.335 0.475 0 C-N-CA 120.94 -0.647 . . . . 0.0 112.756 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -108.71 -32.28 7.4 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 111.533 0.198 . . . . 0.0 111.533 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . 0.408 HD12 HG11 ' A' ' 3' ' ' VAL . 3.3 mp -96.74 105.92 17.75 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-O 120.711 0.291 . . . . 0.0 111.083 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.37 153.96 20.95 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.676 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -58.17 113.46 1.93 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.919 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.37 5.74 45.56 Favored Glycine 0 CA--C 1.525 0.668 0 C-N-CA 120.964 -0.636 . . . . 0.0 113.036 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -61.54 149.43 39.03 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.965 0.382 . . . . 0.0 110.875 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.2 t -110.74 101.7 12.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-O 120.761 0.315 . . . . 0.0 111.137 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 21.6 t -79.13 133.67 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.148 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -113.65 -41.9 3.53 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.399 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 8.1 mttm -133.22 152.07 51.94 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.624 0.249 . . . . 0.0 111.635 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 19.8 mt -134.9 119.75 28.58 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.945 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 16.4 p30 42.1 44.96 3.31 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.195 0.598 . . . . 0.0 111.652 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.44 38.33 33.53 Favored Glycine 0 C--N 1.335 0.499 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.823 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.59 116.26 7.18 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.878 0.339 . . . . 0.0 110.52 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 12.1 t -61.72 140.67 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.639 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.27 22.27 13.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.552 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.32 144.57 25.26 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-O 120.81 0.338 . . . . 0.0 110.333 179.12 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 5.4 m120 62.49 14.93 7.41 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.993 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 2.4 tpp -100.64 164.75 11.74 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.84 0.352 . . . . 0.0 111.051 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.45 146.03 34.71 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.736 179.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.47 HD21 ' HB2' ' A' ' 55' ' ' ASN . 17.0 tp -55.8 -31.83 62.99 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.934 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.92 -41.0 97.43 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.743 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -57.08 -43.9 82.62 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.676 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.76 -36.56 69.95 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.735 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -68.61 -35.28 77.11 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.608 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -70.38 -41.13 73.45 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.076 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.7 -39.6 68.33 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.759 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 40.2 mt -72.35 -31.14 37.53 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.83 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -75.48 -46.89 29.68 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.682 0.277 . . . . 0.0 110.896 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 -59.55 -23.28 62.75 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.689 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 9.3 t -55.46 107.57 0.34 Allowed 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 120.794 0.331 . . . . 0.0 110.929 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -62.46 -38.19 88.86 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.283 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -160.48 -63.58 0.01 OUTLIER Glycine 0 C--N 1.333 0.389 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.472 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -86.6 123.67 32.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.705 0.288 . . . . 0.0 111.253 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . 0.467 ' HB2' ' CE1' ' A' ' 14' ' ' TYR . 0.4 OUTLIER -107.95 120.84 43.43 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.794 179.765 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -106.51 131.03 54.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.656 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -143.23 138.62 29.78 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.8 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 21.6 t -107.04 111.22 34.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.725 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 16.0 m -110.79 149.51 13.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.39 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.88 106.29 3.03 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.791 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 2.6 ptt180 -110.61 171.82 7.23 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.23 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -66.9 138.66 57.46 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 67.76 163.48 0.2 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.016 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 58.18 38.25 26.31 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.8 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.061 -0.971 . . . . 0.0 111.361 -179.787 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 120.812 0.339 . . . . 0.0 111.57 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.7 mtmm -120.94 139.03 53.81 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.597 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 32.8 t -113.65 126.46 71.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.949 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.92 112.73 14.4 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.962 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' B' ' 33' ' ' ALA . 70.8 mt -109.64 156.79 19.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.96 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.6 t -125.52 101.16 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.151 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.127 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.464 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 4.7 ttmm -70.66 143.08 51.51 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.26 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.6 p -91.51 -169.75 2.4 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.924 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -60.07 3.67 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.818 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.1 mttp -160.28 170.02 21.96 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.828 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 60.49 26.89 16.52 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.755 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -162.28 74.61 0.42 Allowed 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.038 0.447 . . . . 0.0 110.771 179.636 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -83.66 177.89 8.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.165 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.464 ' CZ ' ' HB2' ' A' ' 7' ' ' LYS . 88.4 m-85 -66.91 -34.34 77.57 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.427 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.29 41.23 92.88 Favored Glycine 0 C--N 1.334 0.469 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.642 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 pp -116.92 136.29 53.06 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.862 0.363 . . . . 0.0 110.702 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.525 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -90.91 116.45 28.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.098 -179.634 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.89 137.71 42.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.232 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -139.72 169.0 18.53 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 91.8 p -125.34 150.38 47.23 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.854 0.359 . . . . 0.0 111.387 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.426 ' HD2' ' CE1' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -115.55 176.04 5.25 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.629 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.2 mp -132.51 132.69 60.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.805 0.336 . . . . 0.0 111.004 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.423 ' CZ ' ' CB ' ' B' ' 19' ' ' ALA . 13.3 p90 -139.7 179.04 6.81 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.065 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.9 t -103.1 115.0 44.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-O 120.788 0.327 . . . . 0.0 111.305 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.557 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 27.2 tptt -66.11 -39.76 90.21 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.139 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -178.01 172.72 1.59 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.216 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.5 mp -130.45 137.91 55.08 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.916 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.93 152.36 22.49 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.459 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -79.57 158.08 27.22 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.973 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 61.16 29.57 18.88 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.228 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m -116.04 173.72 6.42 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.844 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.9 mt -57.58 -43.56 84.66 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.74 -38.23 81.16 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.292 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.87 -42.45 94.82 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.688 0.28 . . . . 0.0 110.989 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.71 -37.59 73.57 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.792 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.85 -41.56 71.3 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.37 35.47 91.47 Favored Glycine 0 CA--C 1.52 0.362 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.496 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.461 ' HB3' HG13 ' B' ' 3' ' ' VAL . 2.6 m-80 -110.3 -36.88 5.68 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 -179.668 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 25.1 mt -84.55 136.38 22.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.201 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -129.88 153.92 47.82 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.19 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.81 118.55 9.82 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.45 -19.14 43.17 Favored Glycine 0 CA--C 1.521 0.466 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.799 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -55.32 137.01 48.64 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.787 0.327 . . . . 0.0 111.109 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.4 t -98.29 122.09 49.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.0 t -96.63 134.88 32.61 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.499 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.1 tp -98.9 -40.66 7.98 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.24 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -134.43 153.4 51.93 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.937 0.399 . . . . 0.0 111.609 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.46 HG22 HD13 ' A' ' 48' ' ' ILE . 29.8 mt -141.62 118.11 7.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.448 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 58.73 39.45 24.28 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.95 25.32 71.82 Favored Glycine 0 CA--C 1.523 0.557 0 C-N-CA 120.981 -0.628 . . . . 0.0 113.27 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.61 129.2 21.46 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.998 0.399 . . . . 0.0 110.677 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.8 t -71.09 137.54 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.616 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.51 32.3 4.95 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.2 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.57 148.92 22.38 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 120.725 0.298 . . . . 0.0 110.202 179.109 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.6 p30 51.73 18.67 0.78 Allowed 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.198 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.4 ttm -102.07 153.31 20.04 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.753 0.311 . . . . 0.0 110.715 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.1 t -61.07 146.07 48.62 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.679 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 33.9 tp -54.7 -33.53 61.09 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.631 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.95 -39.56 83.41 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.554 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.39 -45.94 69.48 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.954 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.91 -40.89 77.15 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.939 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.1 mtpt -64.84 -40.12 94.65 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.557 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.81 -39.85 93.18 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.942 179.529 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.9 mt -55.63 -34.76 65.2 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.828 0.347 . . . . 0.0 110.338 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 21.9 mm -67.92 -34.32 66.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.74 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.26 -40.35 52.08 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.855 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.06 -28.85 66.84 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.547 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.2 t -60.08 103.62 0.24 Allowed 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.931 0.396 . . . . 0.0 111.057 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -31.31 71.23 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.423 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -148.8 -95.98 0.16 Allowed Glycine 0 C--N 1.335 0.503 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.774 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.88 148.67 45.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.901 0.382 . . . . 0.0 111.177 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.05 126.58 43.32 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.831 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.2 mtmt -108.07 106.84 17.24 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.177 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -113.04 122.74 48.52 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 37.6 t -98.47 133.29 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.865 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 7.6 m -119.04 166.4 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-O 120.867 0.365 . . . . 0.0 111.665 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -93.02 160.76 14.72 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.992 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 62.72 179.11 0.14 Allowed 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.072 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -148.24 82.6 1.49 Allowed 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.819 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -88.5 120.42 29.86 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.403 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 31.7 mt -148.31 -63.51 0.25 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.187 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.248 0.978 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.748 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 120.91 0.386 . . . . 0.0 111.487 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -125.2 135.1 52.26 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.643 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . 0.461 HG13 ' HB3' ' A' ' 38' ' ' ASN . 25.7 t -118.54 127.13 75.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.765 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -128.13 108.29 10.52 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.878 0.37 . . . . 0.0 111.366 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -100.79 160.47 14.33 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.861 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 20.5 t -127.7 99.12 4.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.155 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.468 ' HB2' ' CZ ' ' B' ' 14' ' ' TYR . 11.4 ttmt -90.06 130.68 36.21 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.038 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.439 ' HB2' ' HB2' ' B' ' 11' ' ' ASN . 0.3 OUTLIER -91.1 -171.67 3.06 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.71 179.658 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -81.22 99.29 8.51 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.933 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt 41.86 44.55 2.92 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.028 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . 0.439 ' HB2' ' HB2' ' B' ' 8' ' ' SER . 1.8 m-80 -112.35 -41.66 3.85 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.336 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -158.17 119.99 3.61 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.612 0.244 . . . . 0.0 110.709 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.56 173.48 11.92 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.913 0.387 . . . . 0.0 110.922 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . 0.468 ' CZ ' ' HB2' ' B' ' 7' ' ' LYS . 32.8 m-85 -71.83 -30.97 66.04 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.522 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.56 32.32 64.68 Favored Glycine 0 C--N 1.335 0.476 0 C-N-CA 121.075 -0.583 . . . . 0.0 112.953 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 pp -108.77 134.3 51.67 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.764 0.316 . . . . 0.0 110.747 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.557 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 3.6 mmt180 -92.19 118.87 31.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.743 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.05 126.41 48.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.423 ' CB ' ' CZ ' ' A' ' 23' ' ' PHE . . . -121.54 173.48 7.38 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.991 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 75.1 p -127.89 146.5 50.61 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.148 0.499 . . . . 0.0 111.895 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -116.44 -178.03 3.32 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.899 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . 0.475 HG13 ' HB ' ' B' ' 53' ' ' THR . 26.2 mm -132.23 137.43 54.58 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.206 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.426 ' CE1' ' HD2' ' A' ' 21' ' ' HIS . 11.0 p90 -149.64 179.76 7.74 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.196 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t -107.1 121.13 59.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.12 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.525 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 17.4 tptt -74.27 -39.5 62.93 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.252 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -174.08 177.37 2.35 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.909 0.385 . . . . 0.0 111.25 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 3.0 mp -131.74 137.52 54.89 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.969 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 25.3 t -78.79 158.53 28.2 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.24 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -85.19 151.61 23.97 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.902 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 58.4 34.91 24.4 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.216 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 24.3 p -114.65 174.04 6.16 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.091 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.443 HD12 ' CD1' ' A' ' 14' ' ' TYR . 4.5 mt -60.7 -42.15 96.61 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.08 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . 0.402 ' HA ' HD22 ' A' ' 5' ' ' LEU . . . -61.02 -45.74 93.58 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.242 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.85 80.13 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.197 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 9.1 mtm180 -78.08 -39.46 41.47 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.03 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.54 -34.59 76.13 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.323 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.59 33.74 88.05 Favored Glycine 0 C--N 1.335 0.49 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.95 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -110.3 -32.27 7.02 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.706 0.253 . . . . 0.0 111.552 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 22.9 mt -92.97 137.7 21.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-O 120.733 0.301 . . . . 0.0 111.112 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -134.65 143.58 47.36 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.47 123.31 16.39 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.803 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.81 -21.35 36.55 Favored Glycine 0 CA--C 1.522 0.499 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.873 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.41 137.34 48.31 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.761 0.315 . . . . 0.0 111.303 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.2 t -95.53 123.25 47.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 22.0 t -99.15 128.81 50.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.231 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.15 -34.28 10.11 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.152 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 6.7 mttm -134.64 153.06 52.15 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.787 0.327 . . . . 0.0 111.477 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 21.0 mt -139.83 118.83 12.18 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.513 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 57.13 36.03 27.03 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.471 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.92 31.49 53.17 Favored Glycine 0 C--N 1.335 0.501 0 C-N-CA 120.916 -0.659 . . . . 0.0 113.121 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.69 123.75 8.78 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.777 0.288 . . . . 0.0 110.52 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 17.1 t -66.29 132.02 31.88 Favored 'Isoleucine or valine' 0 C--O 1.231 0.106 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.473 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' THR . . . . . 0.475 ' HB ' HG13 ' B' ' 22' ' ' ILE . 1.0 OUTLIER -106.56 25.42 11.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.452 -179.883 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -80.04 144.15 33.44 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 5.2 m120 62.16 15.15 7.2 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.875 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 1.3 ttm -103.16 160.28 14.79 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.785 0.326 . . . . 0.0 110.881 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.1 m -69.95 146.06 51.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.772 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 35.0 tp -54.88 -32.57 61.03 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.026 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 1.2 m -63.73 -37.97 89.35 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.675 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.21 -48.36 73.97 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.976 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.63 -41.61 77.43 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.62 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 23.1 mttt -62.53 -40.54 97.1 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.486 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.33 -41.89 90.17 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.618 179.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.2 -38.04 56.71 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.698 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 22.5 mt -74.2 -31.18 28.58 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.705 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -75.76 -42.29 50.81 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.03 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.21 -7.18 59.65 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 94.0 p -55.18 115.94 2.52 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.979 0.419 . . . . 0.0 111.056 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 4.3 mmtm -78.6 74.84 5.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.307 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 82.74 -85.78 1.49 Allowed Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.882 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.36 144.23 32.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.852 0.358 . . . . 0.0 111.333 -179.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . 0.401 HD11 ' CZ ' ' A' ' 14' ' ' TYR . 0.4 OUTLIER -122.79 140.42 52.93 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.903 -179.905 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 9.8 mttp -120.99 131.74 54.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.731 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 2.0 ttm -135.86 124.25 23.38 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.673 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 21.6 t -101.25 118.17 47.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.031 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 14.9 m -111.58 177.12 1.52 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.225 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -128.24 161.25 29.78 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 20.7 mtt85 64.41 -178.23 0.17 Allowed 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.824 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 6.2 t0 68.04 107.27 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.309 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -125.18 107.41 10.72 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.67 -49.05 76.65 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.983 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 . . . . . 0 C--O 1.252 1.191 0 CA-C-O 118.435 -0.793 . . . . 0.0 111.123 -179.958 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 61.7 m . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 120.651 0.262 . . . . 0.0 111.273 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.1 mptt -130.65 129.68 42.96 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 38.3 t -112.95 131.09 65.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.734 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.5 m -129.1 112.1 13.63 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-O 120.72 0.295 . . . . 0.0 111.125 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 46.4 mt -107.04 160.2 15.73 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.095 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.67 100.91 5.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.894 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.549 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 7.5 ttmt -76.2 141.69 41.72 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.065 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 79.7 p -105.68 179.99 4.11 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.162 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.19 -169.24 0.48 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.697 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 70.22 -166.17 0.16 Allowed 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.779 -0.191 . . . . 0.0 110.499 -179.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -93.55 46.5 1.2 Allowed 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 120.94 0.4 . . . . 0.0 110.782 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -81.82 156.63 24.79 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.96 150.74 51.3 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.976 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.549 ' CZ ' ' HB2' ' A' ' 7' ' ' LYS . 62.4 m-85 -60.88 -39.73 90.35 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.308 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.74 -25.87 12.35 Favored Glycine 0 C--N 1.335 0.507 0 C-N-CA 120.905 -0.664 . . . . 0.0 113.067 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.5 pp -69.06 115.62 8.56 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.976 0.417 . . . . 0.0 111.021 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.495 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.1 OUTLIER -88.18 129.08 35.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.953 179.497 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.56 156.09 33.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.074 0.464 . . . . 0.0 111.623 -179.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.423 ' HB3' ' CZ ' ' B' ' 23' ' ' PHE . . . -151.82 177.39 10.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.13 -179.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.421 ' OG ' ' HA ' ' A' ' 55' ' ' ASN . 93.7 p -131.39 149.6 52.48 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 120.839 0.352 . . . . 0.0 111.386 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.509 ' HD2' ' CE1' ' B' ' 23' ' ' PHE . 0.2 OUTLIER -120.23 -179.9 4.09 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.789 -179.886 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.406 ' CG2' HD13 ' B' ' 18' ' ' LEU . 28.9 mm -127.67 140.61 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.188 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.454 ' CE1' ' HD2' ' B' ' 21' ' ' HIS . 8.1 p90 -146.91 172.86 13.03 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.258 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -101.14 108.55 23.61 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.86 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.538 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 9.4 tptm -59.79 -38.09 80.93 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.152 179.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -177.29 178.78 1.04 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.869 0.366 . . . . 0.0 111.334 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.0 mp -133.01 149.27 31.58 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.051 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.0 m -93.41 155.98 17.04 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.215 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -79.3 150.55 31.47 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.335 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.2 t70 56.39 42.29 27.82 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.908 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 73.6 m -121.24 171.2 8.89 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.079 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.9 mt -62.05 -40.18 94.87 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.263 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.1 -44.08 96.68 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.021 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.63 -39.88 91.93 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.103 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.99 -48.28 58.8 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.968 179.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.27 -34.02 75.75 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.44 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.2 33.89 88.12 Favored Glycine 0 C--N 1.336 0.562 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.843 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -112.37 -38.47 4.67 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.609 0.242 . . . . 0.0 111.344 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.433 ' CD1' HD21 ' B' ' 5' ' ' LEU . 4.2 mp -93.09 105.41 16.77 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.805 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.28 150.05 28.54 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.773 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.65 127.61 32.53 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.831 0.348 . . . . 0.0 110.796 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.59 -23.58 31.0 Favored Glycine 0 CA--C 1.521 0.421 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.867 -179.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -56.58 146.23 25.79 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.787 0.327 . . . . 0.0 111.118 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.1 t -110.44 113.61 44.72 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.225 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.3 t -90.33 134.87 27.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.401 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.7 tt -106.03 -40.81 5.56 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.142 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.7 mttt -128.4 151.39 49.42 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.9 0.381 . . . . 0.0 111.874 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 39.7 mt -140.57 119.04 10.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.407 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.434 ' OD1' HD22 ' A' ' 72' ' ' LEU . 10.3 m-20 57.83 36.72 26.66 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.255 -179.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.32 25.65 65.47 Favored Glycine 0 CA--C 1.524 0.626 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.957 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.58 133.78 36.73 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.848 0.324 . . . . 0.0 110.524 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.2 t -70.69 135.95 27.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.71 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.46 23.88 12.38 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.254 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.37 150.28 23.93 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 120.752 0.311 . . . . 0.0 110.47 179.387 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.457 ' HB2' ' CD2' ' B' ' 58' ' ' LEU . 8.1 p30 51.11 17.6 0.48 Allowed 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.64 -179.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.7 tpp -99.9 168.37 9.92 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.811 0.339 . . . . 0.0 110.997 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.8 p -71.48 143.32 50.07 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.607 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 41.5 tp -57.71 -32.92 67.86 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.962 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.88 -36.79 75.75 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.954 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -53.63 -45.19 70.07 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.44 -40.59 82.97 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.701 179.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 63' ' ' THR . 0.0 OUTLIER -61.95 -36.89 82.76 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.889 179.378 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.429 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 0.2 OUTLIER -63.84 -40.89 97.67 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.981 179.476 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.8 -36.12 64.61 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.755 0.312 . . . . 0.0 110.366 179.263 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 17.4 mm -67.72 -33.05 59.43 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.946 179.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -76.76 -49.84 14.98 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.156 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -61.73 -25.05 67.2 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.314 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.412 ' OG ' ' HG ' ' A' ' 72' ' ' LEU . 3.5 m -51.66 111.34 0.58 Allowed 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.812 0.339 . . . . 0.0 111.191 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt -78.25 78.39 4.72 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.049 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 79.21 -73.52 2.34 Favored Glycine 0 C--N 1.334 0.454 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.675 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 24.5 tttt -79.65 134.54 36.44 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.855 0.359 . . . . 0.0 111.3 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.434 HD22 ' OD1' ' A' ' 49' ' ' ASN . 0.5 OUTLIER -117.09 135.4 53.77 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.811 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.3 mttp -117.65 132.33 56.51 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.612 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 8.1 mtm -145.41 133.87 21.94 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.971 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.3 t -107.71 125.44 64.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.779 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.5 t -100.16 140.35 19.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.266 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -111.29 155.49 22.94 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.227 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 -157.95 129.7 6.85 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.085 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 64.9 173.17 0.2 Allowed 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.537 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.01 141.68 34.16 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.64 129.49 50.94 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.299 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 . . . . . 0 C--O 1.252 1.203 0 CA-C-O 118.551 -0.738 . . . . 0.0 110.932 179.884 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 48.2 m . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 120.684 0.278 . . . . 0.0 111.401 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -123.99 139.82 53.57 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 21.5 t -126.99 123.76 63.17 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.911 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.01 105.68 8.36 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.846 179.6 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.433 HD21 ' CD1' ' A' ' 39' ' ' ILE . 73.0 mt -96.89 150.84 20.28 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.69 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 25.0 t -122.8 101.81 10.4 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.938 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.95 146.46 33.44 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.309 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.41 145.89 23.11 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.086 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 7.7 mtt85 64.73 174.95 0.2 Allowed 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.49 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.81 29.61 6.11 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.129 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -147.71 25.5 1.05 Allowed 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.352 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -143.1 61.66 1.4 Allowed 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.939 0.4 . . . . 0.0 110.743 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -66.32 163.58 17.79 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . 0.429 ' CZ ' HD11 ' A' ' 72' ' ' LEU . 50.6 m-85 -60.09 -29.76 68.79 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.375 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.87 49.97 56.43 Favored Glycine 0 C--N 1.338 0.651 0 C-N-CA 121.306 -0.473 . . . . 0.0 112.835 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 pp -120.39 123.57 43.38 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.921 0.391 . . . . 0.0 111.199 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.538 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -80.75 107.88 13.94 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.539 179.839 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.406 HD13 ' CG2' ' A' ' 22' ' ' ILE . 0.2 OUTLIER -91.25 147.89 22.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.394 -179.627 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -154.48 171.25 19.69 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.096 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 84.8 p -135.84 153.96 51.33 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.967 0.413 . . . . 0.0 111.844 -179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' HIS . . . . . 0.454 ' HD2' ' CE1' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -127.85 178.4 6.19 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.989 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 21.5 mm -127.26 141.44 46.31 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.22 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.509 ' CE1' ' HD2' ' A' ' 21' ' ' HIS . 8.5 p90 -148.23 175.07 11.37 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 40.0 t -93.75 123.35 45.82 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.709 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.495 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 21.5 tptt -71.72 -43.1 66.46 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.536 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -178.73 176.29 0.98 Allowed 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.748 0.309 . . . . 0.0 111.16 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 4.1 mm -121.38 131.34 73.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.68 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 57.7 m -83.6 137.16 33.95 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.42 146.65 46.82 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.818 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 58.19 41.25 23.96 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.84 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.12 179.66 4.96 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.75 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.448 HD12 ' CD1' ' A' ' 14' ' ' TYR . 51.5 mt -60.33 -36.35 77.76 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.3 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.47 -39.24 91.75 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.244 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.71 -42.82 81.34 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.123 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 27.2 mtt-85 -66.3 -45.76 79.28 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.658 179.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.75 -40.49 84.09 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.144 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.22 37.31 94.68 Favored Glycine 0 C--N 1.335 0.527 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.69 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -113.72 -36.31 4.9 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 3.1 mp -87.17 134.58 27.28 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-O 120.71 0.29 . . . . 0.0 111.114 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -123.27 152.82 40.98 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.907 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.93 121.32 17.12 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.665 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.87 -16.76 50.47 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 120.876 -0.678 . . . . 0.0 113.124 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.9 134.03 42.92 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.923 0.361 . . . . 0.0 111.233 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 27.7 t -90.35 108.73 19.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.847 0.356 . . . . 0.0 110.931 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 24.4 t -88.29 127.13 41.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.227 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.5 -43.64 7.88 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.005 179.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.92 160.17 39.13 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 120.983 0.42 . . . . 0.0 111.966 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 3.7 mp -132.32 115.86 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.507 179.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 21.1 p30 44.74 34.51 1.19 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.176 0.59 . . . . 0.0 111.885 -179.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.46 40.74 5.31 Favored Glycine 0 C--N 1.335 0.48 0 C-N-CA 120.903 -0.665 . . . . 0.0 113.21 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -156.24 118.07 3.95 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.875 0.337 . . . . 0.0 110.583 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 23.6 t -77.23 137.95 21.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.546 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.47 33.65 5.0 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.582 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.19 139.56 30.38 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.858 0.361 . . . . 0.0 110.37 179.288 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 20.1 m-20 64.82 15.58 9.93 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.081 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -103.9 -178.14 3.57 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.8 0.333 . . . . 0.0 110.965 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.98 145.94 24.0 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.835 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.457 ' CD2' ' HB2' ' A' ' 55' ' ' ASN . 9.9 tp -56.23 -30.58 62.56 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.854 179.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.99 -40.69 90.01 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.823 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.04 -42.49 90.36 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.627 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.83 -39.5 77.78 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.428 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 18.7 mtmt -63.59 -36.62 84.42 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.392 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.96 -39.97 94.29 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.97 179.483 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 2.1 mt -56.18 -35.22 66.99 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.755 0.312 . . . . 0.0 110.712 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 17.6 mt -77.99 -29.27 15.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.968 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.57 -47.23 19.96 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.773 0.32 . . . . 0.0 111.002 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -62.12 -21.43 65.01 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.107 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 60.3 p -55.03 105.25 0.15 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 120.963 0.411 . . . . 0.0 110.914 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -33.88 72.42 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.544 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -164.28 -70.67 0.02 OUTLIER Glycine 0 C--N 1.334 0.449 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.354 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 ptpp? -83.62 140.28 32.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.807 0.337 . . . . 0.0 111.033 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -118.73 146.2 44.94 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.787 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 7.8 mtmt -126.95 135.57 51.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.657 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -139.24 126.88 21.84 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 22.0 t -109.16 111.06 34.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 36.0 m -105.1 164.37 4.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.307 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.34 129.76 39.34 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -136.27 81.02 1.86 Allowed 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.951 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.68 118.19 29.47 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -63.18 -40.23 96.93 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.342 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.8 mp -82.03 -171.41 3.38 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.796 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.087 -0.958 . . . . 0.0 111.414 179.926 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 27.5 m . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 120.705 0.288 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.8 ptmm? -131.05 130.89 43.82 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.395 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 32.0 t -114.6 131.33 67.04 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.0 m -129.05 123.61 32.73 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.71 0.29 . . . . 0.0 111.424 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.431 HD22 ' CD1' ' B' ' 39' ' ' ILE . 4.0 mm? -117.22 160.29 21.3 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.79 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.0 t -127.02 98.74 4.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.038 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.5 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 15.4 ttmt -65.61 138.38 57.98 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.082 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.2 m -123.47 -168.85 1.84 Allowed 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.86 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -93.72 37.2 1.07 Allowed 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.382 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.4 tptp -78.12 -67.29 0.75 Allowed 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.74 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -146.53 22.61 1.3 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.331 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 50.98 32.21 7.21 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.785 0.326 . . . . 0.0 111.395 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -147.95 137.22 22.22 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.013 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.5 ' CZ ' ' HB2' ' A' ' 7' ' ' LYS . 83.7 m-85 -75.61 -24.43 56.52 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.553 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.39 30.33 41.4 Favored Glycine 0 C--N 1.336 0.54 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.786 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 pp -120.37 120.91 37.34 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.834 0.35 . . . . 0.0 110.778 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.417 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -73.41 122.6 22.34 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.773 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.426 HD12 HG23 ' B' ' 22' ' ' ILE . 0.9 OUTLIER -100.88 135.53 42.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.305 -179.603 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.413 ' HB2' ' HB2' ' B' ' 25' ' ' LYS . . . -134.84 170.95 15.09 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.662 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.4 p -134.58 150.55 50.73 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.961 0.41 . . . . 0.0 111.944 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.402 ' HD2' ' CE1' ' B' ' 23' ' ' PHE . 0.1 OUTLIER -117.99 177.61 4.72 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.87 179.85 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.469 HG13 ' HB ' ' A' ' 53' ' ' THR . 33.4 mm -133.47 137.4 53.07 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 120.687 0.28 . . . . 0.0 111.243 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.438 ' CE1' ' HD2' ' B' ' 21' ' ' HIS . 6.1 p90 -149.5 -179.06 6.79 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.315 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 25.3 t -107.54 114.94 47.59 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.911 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.5 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 15.7 tptm -65.36 -40.05 93.11 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.289 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -174.92 176.37 2.18 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.907 0.384 . . . . 0.0 111.089 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.9 mt -131.13 134.67 61.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.985 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.7 m -75.23 149.11 38.98 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.187 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -79.11 152.51 30.75 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.947 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 59.45 28.19 17.5 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.525 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.29 175.17 5.58 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.785 0.326 . . . . 0.0 110.908 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.401 HD11 ' CD1' ' B' ' 14' ' ' TYR . 25.9 mt -58.03 -35.62 71.57 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.319 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.31 -43.12 92.06 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.642 -0.253 . . . . 0.0 111.273 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.88 -39.74 90.36 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.173 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -74.49 -43.49 55.76 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.957 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -64.27 -36.65 84.8 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.387 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.78 45.87 93.27 Favored Glycine 0 C--N 1.335 0.519 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.803 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -125.53 -46.72 1.74 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.457 0.17 . . . . 0.0 111.279 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 30.5 mm -72.69 136.23 26.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-O 120.771 0.32 . . . . 0.0 111.152 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.43 141.44 45.43 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.565 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.07 127.98 33.94 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.992 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.29 -22.3 39.64 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.837 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.8 138.97 55.09 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.822 0.344 . . . . 0.0 111.138 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 22.6 t -94.04 119.51 42.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.236 -179.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.3 t -92.04 114.77 29.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.972 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.5 mp -83.48 -46.62 12.26 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.001 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -131.01 157.43 43.02 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.34 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 31.4 mt -139.02 121.51 17.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.593 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 58.34 32.08 21.64 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.245 -179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.57 34.74 27.6 Favored Glycine 0 C--N 1.337 0.609 0 C-N-CA 120.996 -0.621 . . . . 0.0 113.065 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.02 125.81 9.69 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.861 0.331 . . . . 0.0 110.744 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.3 t -67.44 137.75 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.645 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.469 ' HB ' HG13 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -119.79 33.08 5.76 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.473 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -93.32 142.77 26.95 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.779 0.323 . . . . 0.0 110.428 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 66.89 9.39 6.79 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.282 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.3 ttm -103.12 175.98 5.3 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.745 0.307 . . . . 0.0 110.601 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.0 p -75.2 139.34 42.57 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.301 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.402 ' CD2' ' HB2' ' B' ' 55' ' ' ASN . 62.2 tp -54.47 -33.87 60.47 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.915 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.87 -42.76 94.42 Favored 'General case' 0 C--O 1.227 -0.106 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.058 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.77 -48.83 66.54 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.651 0.263 . . . . 0.0 110.719 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.23 -39.22 82.07 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.29 178.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 63' ' ' THR . 0.0 OUTLIER -64.74 -37.4 87.49 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.384 178.896 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.421 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 0.2 OUTLIER -64.65 -40.76 96.01 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.891 179.542 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.1 mt -55.1 -34.95 64.11 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.753 0.311 . . . . 0.0 110.354 179.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 17.0 mm -68.23 -33.48 60.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.648 178.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -76.2 -40.83 51.33 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.802 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -57.9 -31.82 67.13 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.373 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.0 t -61.18 109.85 1.23 Allowed 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.745 0.307 . . . . 0.0 110.864 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -97.82 29.4 3.42 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.311 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 165.54 -90.38 0.1 Allowed Glycine 0 C--N 1.336 0.582 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.451 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.93 135.04 33.44 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.965 0.412 . . . . 0.0 111.545 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.426 ' HB2' ' CE1' ' B' ' 14' ' ' TYR . 0.4 OUTLIER -117.69 146.08 43.97 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.623 179.662 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.5 mttp -125.97 133.92 51.67 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.648 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -143.68 126.87 16.57 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.77 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 32.5 t -108.18 116.24 51.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.894 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 28.5 m -121.01 167.13 14.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.777 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -125.67 144.65 50.51 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.056 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.8 mtt180 -112.48 53.24 0.74 Allowed 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t0 64.59 167.55 0.17 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.981 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -173.07 152.96 2.42 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.329 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -145.01 -176.96 5.3 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.085 179.675 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.336 -0.84 . . . . 0.0 111.645 179.974 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 120.515 0.198 . . . . 0.0 111.247 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.13 120.33 41.95 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.009 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 21.3 t -103.57 130.36 54.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.981 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 1.3 m -128.68 105.83 8.53 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.786 0.327 . . . . 0.0 110.734 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 85.2 mt -98.14 158.76 15.36 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 22.8 t -130.68 101.59 5.8 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 CA-C-O 120.975 0.417 . . . . 0.0 111.224 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.447 ' HB2' ' CE1' ' B' ' 14' ' ' TYR . 0.6 OUTLIER -85.97 127.64 34.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.061 179.822 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 47.5 t -125.34 4.66 7.72 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.727 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 52.72 36.76 21.93 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 120.925 0.393 . . . . 0.0 111.075 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 28.2 tttt -75.26 -35.92 61.31 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.154 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -165.15 -41.9 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.602 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -138.77 134.93 34.12 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.216 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -76.33 -164.05 0.36 Allowed 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.834 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . 0.447 ' CE1' ' HB2' ' B' ' 7' ' ' LYS . 45.2 m-85 -52.87 -43.45 66.12 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.253 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.88 40.45 90.21 Favored Glycine 0 C--N 1.337 0.6 0 C-N-CA 121.223 -0.513 . . . . 0.0 112.969 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 pp -106.03 120.28 41.37 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.974 0.416 . . . . 0.0 110.951 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.5 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -76.27 111.51 11.78 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.6 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.04 141.04 30.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.289 -179.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -144.48 166.37 25.33 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.962 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 79.4 p -130.84 149.79 52.31 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.875 0.369 . . . . 0.0 111.596 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' HIS . . . . . 0.438 ' HD2' ' CE1' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -115.12 179.95 3.81 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.772 179.802 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . 0.426 HG23 HD12 ' A' ' 18' ' ' LEU . 31.1 mm -133.58 139.92 47.82 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 CA-C-O 120.725 0.298 . . . . 0.0 111.375 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.402 ' CE1' ' HD2' ' A' ' 21' ' ' HIS . 10.2 p90 -149.62 176.75 10.37 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.092 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.9 t -100.75 113.46 36.72 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.026 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.417 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 9.7 tptp -65.64 -34.71 78.86 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.425 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -177.82 173.12 1.61 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.79 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 3.1 mp -137.5 136.35 46.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.917 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 1.5 m -79.8 155.81 27.7 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.196 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -79.15 158.9 27.64 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.867 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 58.78 30.62 20.27 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.243 -179.577 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 3.2 m -109.92 172.02 7.11 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.975 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.429 HD13 ' CD2' ' A' ' 14' ' ' TYR . 4.4 mt -59.18 -42.45 90.88 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.848 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.39 -43.71 89.78 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.156 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.4 -37.18 77.35 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.137 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -79.55 -39.61 31.45 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.017 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.0 -35.39 80.56 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.409 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.83 37.01 91.98 Favored Glycine 0 C--N 1.336 0.532 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.457 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -122.1 -45.84 2.22 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.454 0.169 . . . . 0.0 111.3 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . 0.431 ' CD1' HD22 ' A' ' 5' ' ' LEU . 31.6 mt -83.33 114.39 23.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -119.55 159.1 24.98 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.975 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -62.81 123.45 18.48 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.712 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.01 -18.1 50.48 Favored Glycine 0 CA--C 1.523 0.533 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.845 -179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -55.09 117.98 3.94 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.778 0.323 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.2 t -85.7 113.92 24.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.0 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 18.6 t -88.7 121.73 39.25 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -89.49 -47.14 8.19 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.708 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.5 155.88 49.8 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.164 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 29.8 mt -132.82 123.18 48.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.927 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 12.8 p30 43.79 40.87 3.36 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.065 0.546 . . . . 0.0 111.683 -179.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.57 35.3 36.98 Favored Glycine 0 CA--C 1.521 0.455 0 C-N-CA 120.907 -0.664 . . . . 0.0 113.05 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.37 123.25 12.71 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.763 0.282 . . . . 0.0 110.319 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 10.2 t -67.1 132.98 32.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.528 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.43 18.83 21.06 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.531 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.98 150.76 28.79 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.345 179.158 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . 0.402 ' HB2' ' CD2' ' A' ' 58' ' ' LEU . 5.3 p30 55.63 13.69 1.06 Allowed 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.477 -179.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 1.7 ttm -95.18 139.2 31.84 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.609 0.242 . . . . 0.0 110.64 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 2.9 m -60.56 144.72 50.94 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.712 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 58.1 tp -53.84 -32.92 54.6 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.851 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.51 -41.94 65.36 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.518 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -60.09 -40.11 88.46 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.534 179.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.73 -37.9 74.38 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 5.9 mmmt -60.85 -34.08 74.04 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.649 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.41 -40.04 95.01 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.087 179.564 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 2.9 mt -55.7 -34.59 65.21 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.828 0.347 . . . . 0.0 110.52 179.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 37.5 mt -72.1 -32.24 42.78 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.905 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -76.98 -48.42 18.07 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.785 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -16.68 61.01 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.76 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 31.3 t -50.36 114.6 1.16 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.737 0.303 . . . . 0.0 111.108 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.56 75.24 3.27 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.602 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 85.61 -90.89 1.67 Allowed Glycine 0 C--N 1.333 0.405 0 C-N-CA 121.001 -0.618 . . . . 0.0 112.771 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.94 147.68 34.86 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.747 0.308 . . . . 0.0 111.278 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . 0.405 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -124.78 129.53 50.63 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.963 179.848 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -106.47 132.68 52.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.435 179.424 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 4.5 mtp -133.25 119.09 19.36 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.822 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 25.3 t -99.02 117.57 44.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.979 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 27.8 m -117.19 167.75 9.84 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.402 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -96.37 119.58 35.11 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.959 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -158.64 -73.06 0.08 Allowed 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.88 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -137.42 81.63 1.88 Allowed 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.23 0.538 . . . . 0.0 110.847 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -85.31 140.82 30.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.974 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 8.6 tp -151.74 38.12 0.6 Allowed 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.075 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.252 1.192 0 CA-C-O 118.813 -0.613 . . . . 0.0 111.632 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.419 ' HB ' HG23 ' B' ' 76' ' ' VAL . 1.2 p . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 120.704 0.288 . . . . 0.0 111.541 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.85 131.34 46.78 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.671 179.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 22.8 t -110.52 123.1 66.12 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.031 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.9 m -128.93 107.2 9.44 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.856 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.6 mt -104.94 138.57 40.96 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.5 t -110.29 101.78 13.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-O 120.863 0.363 . . . . 0.0 111.189 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.446 ' HB2' ' CE1' ' A' ' 14' ' ' TYR . 1.8 ttmt -81.04 113.51 19.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.713 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.19 160.0 28.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.878 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 48.9 ttm-85 -55.44 -28.28 53.34 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.467 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.23 162.52 1.41 Allowed 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 120.663 0.268 . . . . 0.0 111.113 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -72.87 69.61 0.95 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.634 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -145.19 99.33 3.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.469 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -86.83 174.22 8.92 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.115 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.454 ' CE1' ' HB2' ' B' ' 72' ' ' LEU . 21.7 m-85 -64.29 -31.82 73.18 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.038 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.31 25.84 41.95 Favored Glycine 0 C--N 1.34 0.759 0 C-N-CA 121.274 -0.489 . . . . 0.0 113.375 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 pp -94.29 118.41 31.55 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.911 0.386 . . . . 0.0 110.802 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.462 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 8.1 mmt85 -73.48 116.75 14.42 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.589 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -103.56 132.52 49.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.53 -179.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -136.62 175.02 9.99 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.843 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.6 p -132.2 143.99 50.34 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.843 0.354 . . . . 0.0 111.75 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.442 ' HD2' ' CE1' ' B' ' 23' ' ' PHE . 0.1 OUTLIER -116.3 -179.72 3.75 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.927 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.448 HG13 ' HB ' ' A' ' 53' ' ' THR . 23.3 mm -129.65 140.69 48.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.179 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.453 ' CE1' ' HD2' ' B' ' 21' ' ' HIS . 3.6 p90 -148.56 175.74 10.91 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.206 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.6 t -108.45 115.57 49.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.124 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.482 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 9.3 tptp -59.89 -45.25 93.12 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -175.33 174.8 2.3 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.014 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.0 mp -124.71 134.27 67.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.4 t -74.34 150.93 39.88 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.978 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -74.35 148.81 40.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.826 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 58.71 37.5 25.1 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.074 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.1 p -112.37 171.6 7.42 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.84 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.402 ' HB2' ' HA ' ' B' ' 14' ' ' TYR . 28.1 mt -60.59 -41.14 94.11 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.95 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.28 -43.58 98.51 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.039 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.09 -36.57 82.08 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.11 179.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -79.2 -42.19 26.61 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.626 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.29 -35.19 75.0 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.221 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.12 36.87 92.48 Favored Glycine 0 C--N 1.336 0.531 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.667 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -118.45 -43.54 2.7 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.717 0.258 . . . . 0.0 111.35 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 12.6 mt -84.48 137.54 20.7 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.039 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -138.62 146.59 41.91 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.717 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.99 122.35 12.11 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.836 0.35 . . . . 0.0 110.731 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.23 -16.46 49.4 Favored Glycine 0 CA--C 1.523 0.545 0 C-N-CA 120.8 -0.714 . . . . 0.0 113.022 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.39 144.5 20.59 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.9 0.35 . . . . 0.0 111.135 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.5 t -109.86 99.28 8.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.183 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.0 t -77.79 126.54 38.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.331 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.22 -45.18 8.78 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.114 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.51 155.26 46.05 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.995 0.426 . . . . 0.0 111.632 -179.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 31.3 mt -137.49 121.84 23.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.389 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 57.28 33.61 23.55 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.208 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.46 33.55 34.66 Favored Glycine 0 CA--C 1.522 0.518 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.935 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.42 129.71 11.27 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.712 0.256 . . . . 0.0 110.773 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.8 t -72.88 135.12 28.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.583 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.448 ' HB ' HG13 ' A' ' 22' ' ' ILE . 0.9 OUTLIER -108.35 28.49 8.27 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.366 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -84.88 143.85 28.77 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.966 179.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.1 m120 63.92 13.93 7.99 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.835 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -98.59 -173.21 2.48 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 120.781 0.324 . . . . 0.0 110.951 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.95 151.34 21.0 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.709 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.9 tp -56.65 -29.79 62.66 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.711 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.88 -37.01 83.61 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.737 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -56.74 -45.21 82.13 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.832 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.53 -39.71 73.84 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.713 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -65.8 -35.76 81.6 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.905 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.21 -46.82 82.21 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.912 179.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.24 -37.13 69.33 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.827 0.346 . . . . 0.0 110.588 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.3 mt -76.86 -30.07 18.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.73 179.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.53 -52.03 24.58 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-O 120.735 0.303 . . . . 0.0 110.972 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -60.38 -33.14 72.04 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.19 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.41 ' CB ' ' HG ' ' A' ' 72' ' ' LEU . 3.1 m -58.54 115.95 3.35 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.729 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.83 68.1 0.87 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.244 -179.377 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.436 ' HA2' ' HG3' ' B' ' 7' ' ' LYS . . . 135.68 -95.94 0.26 Allowed Glycine 0 C--N 1.333 0.379 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.837 179.45 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.0 115.58 27.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 0.0 111.353 -179.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.41 ' HG ' ' CB ' ' A' ' 68' ' ' SER . 0.6 OUTLIER -99.66 149.18 23.56 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.751 179.578 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -126.05 135.05 51.31 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.902 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 26.6 mtm -147.65 125.22 11.73 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.707 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.6 t -98.23 127.51 50.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.714 0.292 . . . . 0.0 111.174 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.2 t -111.23 164.52 7.1 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -93.18 119.83 32.81 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.706 0.289 . . . . 0.0 111.185 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -103.99 171.74 7.18 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.049 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -55.92 160.21 2.84 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.569 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.98 177.6 6.21 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.277 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -104.08 -62.02 1.37 Allowed 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.243 -0.884 . . . . 0.0 111.369 -179.95 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 120.653 0.263 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -89.75 120.04 30.67 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 59.5 t -103.55 121.04 54.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.038 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -128.27 105.75 8.56 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.068 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.412 HD12 ' CD1' ' B' ' 14' ' ' TYR . 58.0 mt -94.58 159.19 15.2 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.488 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 20.3 t -137.95 101.53 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-O 120.923 0.392 . . . . 0.0 111.305 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.457 ' HB2' ' HB2' ' B' ' 12' ' ' GLU . 0.8 OUTLIER -88.53 136.87 32.78 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.797 179.685 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -171.26 160.15 6.1 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.088 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.76 -171.91 0.16 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.363 179.533 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.7 142.56 57.15 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.745 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 62.44 52.06 3.12 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.051 0.453 . . . . 0.0 110.607 -179.407 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . 0.457 ' HB2' ' HB2' ' B' ' 7' ' ' LYS . 18.7 pt-20 -91.2 42.6 1.11 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.212 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -97.52 126.45 42.8 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.55 179.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . 0.412 ' CD1' HD12 ' B' ' 5' ' ' LEU . 71.6 m-85 -58.82 -32.46 69.4 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.935 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.08 46.38 93.84 Favored Glycine 0 C--N 1.337 0.619 0 C-N-CA 121.313 -0.47 . . . . 0.0 113.111 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 pp -121.3 127.92 51.81 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.834 0.35 . . . . 0.0 111.076 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.482 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 4.1 mmt180 -85.09 112.79 20.98 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.59 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -100.05 135.74 41.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.434 -179.556 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -141.24 167.59 21.82 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.573 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 58.4 p -121.59 151.05 40.81 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.018 0.437 . . . . 0.0 111.702 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' HIS . . . . . 0.453 ' HD2' ' CE1' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -122.4 177.94 5.17 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.795 179.916 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 32.6 mm -130.65 143.09 41.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.082 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.442 ' CE1' ' HD2' ' A' ' 21' ' ' HIS . 7.8 p90 -149.45 178.62 8.64 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.254 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 39.9 t -105.09 110.86 32.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.012 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.462 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 4.6 tttp -62.18 -38.44 89.08 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -171.18 172.59 5.27 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.848 0.356 . . . . 0.0 111.052 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 2.9 mp -130.12 133.61 64.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 2.2 m -70.16 154.56 41.77 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.237 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -81.82 143.12 31.97 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.95 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 57.44 31.76 20.73 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.154 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.58 174.48 5.88 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.953 0.406 . . . . 0.0 110.817 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 21.8 mt -57.31 -37.11 71.97 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.37 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.66 -40.44 88.62 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.682 -0.236 . . . . 0.0 111.011 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.14 -45.14 86.22 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.0 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -64.34 -37.64 88.23 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.738 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.15 -35.95 66.56 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.132 179.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.25 29.57 71.95 Favored Glycine 0 C--N 1.334 0.454 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.543 -179.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -107.99 -31.74 7.85 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 111.591 0.219 . . . . 0.0 111.591 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 29.3 mm -89.46 129.46 40.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-O 120.695 0.283 . . . . 0.0 111.254 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -129.65 153.68 47.87 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -61.06 112.87 2.26 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.738 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.56 -13.77 56.6 Favored Glycine 0 CA--C 1.523 0.558 0 C-N-CA 120.865 -0.683 . . . . 0.0 113.036 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.64 127.63 28.91 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.904 0.352 . . . . 0.0 111.094 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 29.0 t -86.63 133.89 28.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.563 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 23.8 t -108.47 118.89 57.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.843 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.15 -46.3 8.92 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.178 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 11.1 mtmt -124.93 153.75 42.21 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.84 0.352 . . . . 0.0 111.341 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 25.6 mt -142.46 124.4 12.9 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.484 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 57.18 32.3 21.49 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.371 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.28 26.09 62.37 Favored Glycine 0 CA--C 1.522 0.486 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.741 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 2.3 m -139.5 138.44 36.36 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.688 0.28 . . . . 0.0 110.74 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 23.2 t -68.07 140.95 18.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.482 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.9 27.38 8.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.253 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.49 150.47 21.78 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 120.731 0.3 . . . . 0.0 110.418 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 7.3 p30 52.0 17.35 0.65 Allowed 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.39 -179.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -100.67 164.18 11.99 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.744 0.307 . . . . 0.0 110.745 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 5.8 t -72.37 143.14 48.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.696 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 55.0 tp -56.3 -33.34 65.44 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.708 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.51 -40.38 92.95 Favored 'General case' 0 CA--C 1.527 0.089 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.471 179.462 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.76 -38.53 67.31 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.48 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.51 -39.75 94.35 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.9 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.2 -36.39 83.48 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.242 179.391 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.1 -40.91 97.46 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.924 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 11.9 mt -56.79 -34.73 67.94 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.794 0.33 . . . . 0.0 110.266 179.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 38.6 mt -70.41 -30.5 43.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.593 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -74.83 -38.25 62.08 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 120.809 0.337 . . . . 0.0 110.583 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -27.93 68.87 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.577 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 26.5 p -60.43 116.58 4.41 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.993 0.425 . . . . 0.0 111.064 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 3.0 mtmm -100.31 35.63 2.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.006 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 137.86 -75.34 0.38 Allowed Glycine 0 C--N 1.333 0.383 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.48 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 7.7 tttp -83.22 123.26 29.4 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.883 0.373 . . . . 0.0 111.195 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . 0.454 ' HB2' ' CE1' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -117.02 132.06 56.79 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.623 179.662 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 2.5 mttp -112.22 136.3 51.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.702 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 19.8 mtm -144.95 121.04 10.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.549 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 19.8 t -97.75 124.04 50.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.265 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.419 HG23 ' HB ' ' A' ' 1' ' ' THR . 31.0 m -113.08 165.07 8.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.34 -179.546 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -106.91 152.48 23.87 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.374 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 26.0 mtp180 -71.43 173.44 7.89 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.323 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -105.5 81.27 1.67 Allowed 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.896 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -120.05 151.28 39.24 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 2.0 mt -72.98 172.4 11.04 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.263 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 . . . . . 0 C--O 1.252 1.185 0 CA-C-O 118.36 -0.828 . . . . 0.0 111.084 179.876 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.441 ' HA ' ' HB ' ' B' ' 76' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 111.275 0.102 . . . . 0.0 111.275 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -75.63 124.35 27.08 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.8 0.333 . . . . 0.0 110.83 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.0 t -120.58 129.66 75.36 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.123 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.0 m -127.71 119.27 25.44 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.793 0.33 . . . . 0.0 111.058 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -115.06 158.72 21.74 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.0 t -132.08 101.55 4.95 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.054 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.41 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 8.4 ttmt -79.79 142.29 35.48 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.15 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.9 t -78.57 178.17 8.0 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.06 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -78.85 -67.0 0.79 Allowed 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.804 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.88 -32.54 73.1 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.396 179.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -98.34 122.34 41.39 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.713 0.292 . . . . 0.0 110.692 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -126.99 65.92 1.28 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.968 0.413 . . . . 0.0 111.168 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -140.87 106.53 5.1 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.271 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.429 ' CD1' HD12 ' B' ' 32' ' ' LEU . 74.3 m-85 -75.59 -25.82 57.35 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.299 179.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.8 38.74 89.74 Favored Glycine 0 C--N 1.337 0.633 0 C-N-CA 121.147 -0.549 . . . . 0.0 112.985 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 pp -128.52 135.61 49.65 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.838 0.352 . . . . 0.0 110.985 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.585 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.6 OUTLIER -93.45 122.95 36.41 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.695 179.765 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.57 140.97 35.14 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.49 -179.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -147.33 165.49 30.0 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.855 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.403 ' OG ' ' HA ' ' A' ' 55' ' ' ASN . 81.6 p -131.73 151.8 51.38 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.978 0.418 . . . . 0.0 111.666 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -121.19 179.14 4.49 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.863 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.0 mm -130.54 142.15 44.44 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.998 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.421 ' CE1' ' HD2' ' B' ' 21' ' ' HIS . 6.4 p90 -149.68 176.61 10.52 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.199 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.9 t -103.66 111.17 32.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.784 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.452 ' HB3' ' HG2' ' B' ' 17' ' ' ARG . 6.1 tptt -60.39 -37.25 80.18 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.379 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.413 ' HG2' ' CB ' ' B' ' 17' ' ' ARG . 1.1 pt-20 -179.55 171.56 1.22 Allowed 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.738 0.304 . . . . 0.0 111.085 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.3 mp -126.07 136.85 59.59 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.978 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.4 m -75.64 156.27 35.03 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.22 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -80.78 149.74 29.5 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.954 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 58.18 33.87 23.58 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.139 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.9 p -108.24 174.57 5.82 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.119 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.8 mt -61.57 -41.41 97.35 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.934 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.7 -41.06 98.17 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.887 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.88 -37.51 82.41 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.952 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.69 -42.35 41.99 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.127 179.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.96 -36.96 85.68 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.237 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.2 33.01 77.21 Favored Glycine 0 C--N 1.336 0.552 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.747 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.408 ' CB ' HG12 ' B' ' 3' ' ' VAL . 6.1 m-80 -112.67 -39.17 4.39 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 120.442 0.163 . . . . 0.0 111.325 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 19.4 mm -85.3 126.35 40.4 Favored 'Isoleucine or valine' 0 C--O 1.232 0.145 0 CA-C-O 120.697 0.284 . . . . 0.0 110.935 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -129.44 153.94 47.45 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.922 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -58.73 124.99 21.6 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.958 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.59 -9.77 73.47 Favored Glycine 0 CA--C 1.523 0.593 0 C-N-CA 120.869 -0.681 . . . . 0.0 113.324 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -56.94 121.15 9.24 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 117.198 0.499 . . . . 0.0 110.865 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.7 t -83.5 120.83 35.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.944 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.5 t -91.35 134.06 31.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.263 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -106.48 -39.48 5.86 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.135 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -138.41 155.99 47.99 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.93 0.395 . . . . 0.0 111.455 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 23.9 mt -142.57 123.97 12.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.517 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 57.81 33.37 23.13 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.202 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.2 32.67 51.58 Favored Glycine 0 C--N 1.337 0.614 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.735 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.3 m -145.27 143.56 30.29 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.698 0.249 . . . . 0.0 110.904 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.7 t -77.11 139.42 18.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.64 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.66 35.85 4.78 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.433 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.49 142.75 26.98 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.753 0.311 . . . . 0.0 110.236 179.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.403 ' HA ' ' OG ' ' A' ' 20' ' ' SER . 8.4 m-20 62.77 14.05 6.98 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.738 -0.664 . . . . 0.0 112.063 -179.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.1 tpp -96.24 161.23 14.04 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.735 0.302 . . . . 0.0 110.841 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.49 145.66 49.04 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.635 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.8 tp -54.98 -32.63 61.82 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.979 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.3 -38.47 87.82 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.673 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -57.29 -46.0 83.59 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.744 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.76 -37.17 73.18 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.005 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.9 mmtt -65.95 -37.44 86.03 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.653 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.13 -44.37 92.04 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.188 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.8 mt -56.49 -36.77 69.5 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.766 0.317 . . . . 0.0 110.418 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 33.3 mt -73.56 -30.64 30.19 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.932 179.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -76.78 -48.54 18.31 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.019 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.59 -28.63 65.75 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.357 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.4 m -58.17 104.5 0.21 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.857 0.36 . . . . 0.0 111.186 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.3 mttm -66.44 -35.55 80.58 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.401 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.499 ' O ' ' HG2' ' B' ' 7' ' ' LYS . . . -152.85 -95.86 0.12 Allowed Glycine 0 C--N 1.337 0.6 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.893 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -60.37 123.63 17.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.753 0.311 . . . . 0.0 111.336 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.443 ' HB2' ' CE1' ' B' ' 14' ' ' TYR . 0.6 OUTLIER -109.63 148.62 31.0 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.955 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -125.51 129.57 50.02 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.735 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -139.52 126.49 20.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.677 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 24.5 t -100.01 110.96 28.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.774 0.321 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 28.2 m -121.5 173.79 6.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.474 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -120.73 128.28 52.79 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.605 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.46 89.91 0.15 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.027 0.441 . . . . 0.0 110.55 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.28 105.44 14.85 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.041 -179.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.97 117.14 29.32 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.678 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.4 mt -101.71 123.0 44.97 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.875 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.837 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 120.682 0.277 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.79 125.81 52.35 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.97 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . 0.408 HG12 ' CB ' ' A' ' 38' ' ' ASN . 17.5 t -106.59 127.87 61.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.804 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 18.9 m -128.34 116.69 20.19 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.874 0.369 . . . . 0.0 111.13 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -110.52 160.24 16.81 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.455 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 21.8 t -136.74 100.01 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.225 0 CA-C-O 120.742 0.306 . . . . 0.0 111.31 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.499 ' HG2' ' O ' ' A' ' 70' ' ' GLY . 10.3 ptmm? -73.27 96.23 2.26 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.178 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 10.8 p 179.46 136.79 0.1 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.1 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.52 129.94 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.151 179.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 9.7 tttp 72.68 -65.69 0.34 Allowed 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.026 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -138.99 122.49 17.29 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.595 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -96.72 25.44 5.21 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.31 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -136.85 135.83 38.23 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.786 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . 0.443 ' CE1' ' HB2' ' A' ' 72' ' ' LEU . 6.6 m-85 -74.69 -31.6 61.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.941 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.54 44.81 95.25 Favored Glycine 0 C--N 1.338 0.685 0 C-N-CA 121.106 -0.569 . . . . 0.0 112.941 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 2.5 pp -115.04 118.57 33.77 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.045 0.45 . . . . 0.0 110.863 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.452 ' HG2' ' HB3' ' A' ' 25' ' ' LYS . 16.7 tpp180 -74.76 115.5 14.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.323 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -98.99 124.68 44.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.228 -179.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -129.24 169.88 14.27 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.775 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 89.4 p -129.68 152.83 48.76 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.965 0.412 . . . . 0.0 111.497 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' HIS . . . . . 0.421 ' HD2' ' CE1' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -120.97 179.02 4.5 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.502 179.653 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . 0.419 HG13 ' CG2' ' B' ' 53' ' ' THR . 26.3 mm -132.86 141.96 43.58 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-O 120.746 0.308 . . . . 0.0 111.339 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -149.54 -179.55 7.18 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.238 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 22.4 t -105.62 112.7 40.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.915 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.585 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 11.0 tptt -62.34 -37.79 87.0 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.291 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -175.85 173.47 2.31 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.054 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 3.4 mp -140.53 135.35 35.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.477 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 52.6 p -85.69 143.87 28.13 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.896 0.379 . . . . 0.0 110.846 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -71.41 161.17 31.48 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.926 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 58.49 30.86 20.31 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.081 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 34.3 m -115.85 176.87 4.89 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.678 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.429 HD12 ' CD1' ' A' ' 14' ' ' TYR . 61.0 mt -57.17 -38.77 74.08 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.035 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.04 -42.62 80.29 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.318 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.47 -45.82 92.35 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.935 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.38 -34.64 74.85 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.535 179.159 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -70.11 -40.67 74.76 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.244 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.25 30.72 69.25 Favored Glycine 0 C--N 1.335 0.481 0 C-N-CA 121.05 -0.595 . . . . 0.0 113.095 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -116.89 -37.85 3.53 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.889 0.345 . . . . 0.0 111.777 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 22.8 mt -85.14 123.58 39.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-O 120.662 0.268 . . . . 0.0 110.955 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -129.48 153.68 47.74 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.94 121.94 14.22 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.741 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.75 -18.04 48.06 Favored Glycine 0 CA--C 1.522 0.494 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.968 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -56.29 131.12 47.19 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.85 0.325 . . . . 0.0 111.059 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.9 t -100.87 116.85 45.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.695 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 32.9 t -94.86 131.32 42.01 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.179 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.2 pp -103.5 -37.27 7.65 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.441 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -130.61 147.79 52.33 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.734 0.302 . . . . 0.0 110.906 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 23.4 mt -135.38 112.16 13.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.725 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 60.43 34.55 20.54 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.205 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.07 28.1 46.82 Favored Glycine 0 C--N 1.336 0.571 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.928 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -139.11 122.09 16.71 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.841 0.321 . . . . 0.0 110.692 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 15.4 t -61.4 142.28 16.38 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.47 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' THR . . . . . 0.419 ' CG2' HG13 ' B' ' 22' ' ' ILE . 0.2 OUTLIER -118.81 25.08 10.47 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.436 -179.808 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.62 148.52 24.01 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 179.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 7.6 p30 52.05 18.52 0.85 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.341 -179.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 1.7 ttm -99.52 153.3 19.14 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 120.602 0.239 . . . . 0.0 110.656 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 5.8 p -66.12 145.24 56.06 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.626 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.403 HD22 ' HB3' ' A' ' 55' ' ' ASN . 18.1 tp -56.18 -31.75 63.7 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.78 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.08 -37.79 88.65 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.72 179.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -56.61 -46.09 81.09 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.807 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.23 -38.95 74.54 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.781 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -64.89 -36.98 86.11 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.601 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.17 -40.81 98.63 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.966 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 5.2 mt -56.64 -34.43 67.29 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.738 0.304 . . . . 0.0 110.609 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 32.0 mt -73.78 -29.73 26.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 179.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -78.69 -46.56 18.8 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.629 0.252 . . . . 0.0 110.816 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 67.1 ttp85 -62.24 -20.92 64.73 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.62 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 52.8 p -51.43 108.94 0.3 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 121.033 0.444 . . . . 0.0 110.922 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -31.14 72.0 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.155 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -169.39 -70.81 0.04 OUTLIER Glycine 0 C--N 1.336 0.562 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.372 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 8.2 ptpt -87.42 134.85 33.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.832 0.348 . . . . 0.0 111.085 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -111.48 141.65 44.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.691 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -125.37 134.06 52.32 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.905 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 1.4 mpp? -129.12 152.52 48.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.711 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 20.1 t -124.57 111.38 28.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.188 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.441 ' HB ' ' HA ' ' A' ' 1' ' ' THR . 2.4 t -100.46 157.35 4.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.238 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.93 162.91 13.88 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.203 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 54.9 mtm180 -58.07 -75.64 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.247 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -172.06 -178.56 2.15 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.641 0.258 . . . . 0.0 111.022 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.14 56.08 0.29 Allowed 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.115 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 5.7 tt -101.0 154.16 18.93 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.81 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 . . . . . 0 C--O 1.252 1.196 0 CA-C-O 118.662 -0.685 . . . . 0.0 111.139 179.795 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 120.707 0.289 . . . . 0.0 111.642 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.91 136.22 52.8 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.723 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.421 HG12 ' CD2' ' A' ' 5' ' ' LEU . 12.0 t -103.68 131.32 52.54 Favored 'Isoleucine or valine' 0 C--O 1.231 0.114 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.974 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.1 m -129.1 105.86 8.46 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-O 120.831 0.348 . . . . 0.0 111.116 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.421 ' CD2' HG12 ' A' ' 3' ' ' VAL . 2.7 mm? -94.34 157.83 15.85 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.872 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 20.1 t -132.85 102.79 5.4 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 CA-C-O 120.942 0.401 . . . . 0.0 111.257 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -91.18 129.5 37.17 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.672 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.19 -50.85 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.976 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.0 ptt180 -56.25 138.13 50.89 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.044 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.4 pttp -93.32 33.82 1.19 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.083 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -107.79 -36.78 6.31 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.022 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -160.2 144.09 14.15 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.881 0.372 . . . . 0.0 111.206 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.56 -170.73 3.25 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.987 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -51.35 -40.18 58.59 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.833 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.96 46.91 90.64 Favored Glycine 0 C--N 1.337 0.628 0 CA-C-N 116.058 -0.519 . . . . 0.0 113.349 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 pp -122.92 122.13 37.86 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.91 0.386 . . . . 0.0 110.936 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.472 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -79.26 112.41 16.46 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.538 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.42 139.65 32.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.53 -179.356 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -142.82 164.94 28.73 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.053 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 54.2 p -126.96 152.64 46.9 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.966 0.412 . . . . 0.0 111.465 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.411 ' HD2' ' CE1' ' B' ' 23' ' ' PHE . 0.1 OUTLIER -120.99 176.1 5.73 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.818 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.414 HG13 ' CG2' ' A' ' 53' ' ' THR . 26.1 mm -132.2 140.69 47.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.389 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.405 ' CE1' ' HD2' ' B' ' 21' ' ' HIS . 12.5 p90 -149.49 179.92 7.59 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.22 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -106.09 113.48 42.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.976 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.492 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 9.7 tptt -63.63 -38.06 89.67 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.195 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -175.3 173.08 2.6 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.854 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.6 mp -136.86 138.22 46.3 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.907 179.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.6 m -84.35 149.09 26.27 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.117 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -77.17 158.98 30.06 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.114 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 57.98 31.24 20.36 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.304 -179.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.16 178.14 4.39 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.853 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.435 HD11 ' CD2' ' B' ' 14' ' ' TYR . 80.7 mt -58.4 -35.96 72.83 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.968 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.426 ' HA ' HD12 ' B' ' 5' ' ' LEU . . . -68.98 -38.53 79.39 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.244 179.293 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.08 -48.63 73.06 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.158 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.96 -40.8 97.26 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.896 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -68.89 -41.58 78.11 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.163 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.79 37.17 93.15 Favored Glycine 0 CA--C 1.521 0.447 0 C-N-CA 121.116 -0.564 . . . . 0.0 112.97 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -120.42 4.84 10.7 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.442 HD13 HD22 ' B' ' 5' ' ' LEU . 3.7 mt -128.04 131.19 69.69 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-O 120.618 0.247 . . . . 0.0 111.033 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 -123.32 157.77 32.49 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -62.41 118.43 7.5 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.764 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.89 -1.18 55.21 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 120.966 -0.635 . . . . 0.0 113.279 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.35 134.12 56.72 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 117.167 0.483 . . . . 0.0 110.905 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 36.5 t -97.08 115.07 35.71 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.021 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 20.1 t -90.45 128.4 42.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.337 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.8 mp -102.79 -43.52 5.54 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.013 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.61 152.22 51.71 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.776 0.322 . . . . 0.0 111.554 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.5 mt -139.08 125.37 23.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.806 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.5 p30 44.13 37.52 1.9 Allowed 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.905 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.72 37.5 22.92 Favored Glycine 0 C--N 1.338 0.645 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.766 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.2 m -145.58 126.11 14.13 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.559 0.219 . . . . 0.0 110.615 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.1 t -62.44 144.15 14.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.566 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.414 ' CG2' HG13 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -125.44 53.94 1.51 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.048 0.451 . . . . 0.0 110.873 -179.818 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.8 138.36 53.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.233 179.34 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 70.57 5.03 5.22 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.97 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.9 ttm -91.59 159.94 15.65 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.767 0.318 . . . . 0.0 111.015 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 79.5 p -75.44 148.67 38.91 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.782 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 30.1 tp -56.42 -31.18 63.67 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.717 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.65 -40.79 92.85 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.777 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.92 -41.2 82.2 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.863 179.633 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.37 -37.25 74.86 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.752 179.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -35.74 78.06 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.237 179.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.7 -41.03 88.66 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.901 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.4 mt -56.4 -34.94 67.21 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 120.707 0.289 . . . . 0.0 110.615 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 23.2 mt -69.62 -29.8 42.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.708 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.21 -51.72 14.57 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.884 179.694 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.4 ttt85 -62.53 -24.97 67.79 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.344 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 m -57.77 115.17 2.65 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.742 0.306 . . . . 0.0 111.111 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.6 mmpp? -86.57 106.54 17.62 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.635 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 61.66 -98.62 0.19 Allowed Glycine 0 C--N 1.335 0.493 0 C-N-CA 121.247 -0.502 . . . . 0.0 113.546 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.26 140.24 58.13 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 120.725 0.298 . . . . 0.0 111.179 -179.38 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.68 144.87 50.79 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.083 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 59.1 mttt -122.28 131.85 54.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.538 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 8.1 mtm -138.87 125.09 20.21 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.801 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 18.4 t -100.15 115.48 41.44 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.153 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.706 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.1 m -115.44 162.94 13.13 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.503 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -132.05 145.48 51.45 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.241 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.68 -43.66 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.273 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t70 69.22 101.26 0.06 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.897 0.38 . . . . 0.0 110.938 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -136.19 148.22 48.02 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.078 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.3 mp -67.15 -42.46 84.31 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 . . . . . 0 C--O 1.252 1.233 0 CA-C-O 118.477 -0.773 . . . . 0.0 110.997 179.869 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 120.809 0.337 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.51 134.43 55.22 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.988 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 17.9 t -110.04 119.14 58.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.614 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.92 107.92 14.67 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 120.76 0.314 . . . . 0.0 111.439 -179.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.442 HD22 HD13 ' A' ' 39' ' ' ILE . 3.2 mm? -99.67 160.06 14.58 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.92 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 19.8 t -130.36 100.61 5.11 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.958 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.407 ' HB2' ' CZ ' ' B' ' 14' ' ' TYR . 5.9 ttmt -82.94 130.76 35.18 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.232 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 24.6 t -120.47 129.64 53.95 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.038 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 3.4 mtp85 64.19 177.42 0.18 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.504 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.85 30.32 5.21 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.087 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -139.19 24.05 2.54 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.286 179.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -148.08 77.19 1.4 Allowed 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.9 0.381 . . . . 0.0 110.569 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -68.48 170.81 8.38 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.232 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . 0.435 ' CD2' HD11 ' A' ' 32' ' ' LEU . 41.5 m-85 -71.25 -20.22 62.26 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.796 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.04 42.28 94.92 Favored Glycine 0 C--N 1.338 0.676 0 C-N-CA 121.156 -0.545 . . . . 0.0 112.91 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 2.8 pp -116.15 122.49 45.24 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.842 0.353 . . . . 0.0 111.043 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.492 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -79.2 111.34 15.32 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.53 179.706 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.3 137.11 33.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.4 -179.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.401 ' CB ' ' CZ ' ' A' ' 23' ' ' PHE . . . -137.5 175.54 9.51 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.989 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 6.8 p -141.01 150.89 43.62 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.993 0.425 . . . . 0.0 111.951 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' HIS . . . . . 0.405 ' HD2' ' CE1' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -121.9 -179.75 4.24 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.841 179.869 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 35.1 mm -134.12 140.31 46.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.279 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.411 ' CE1' ' HD2' ' A' ' 21' ' ' HIS . 7.7 p90 -149.07 -178.13 6.2 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.385 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 12.2 t -109.16 119.84 59.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.024 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.472 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 10.9 tptm -68.12 -45.41 73.73 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.649 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.404 ' HA ' ' HG3' ' B' ' 41' ' ' GLU . 0.1 OUTLIER -165.67 172.69 11.59 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.844 0.354 . . . . 0.0 111.214 -179.623 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 2.2 mm -125.66 129.91 72.63 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.951 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 6.5 p -78.72 146.51 33.87 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.604 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -74.95 150.07 39.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.157 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 60.43 37.94 19.61 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.431 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 9.2 p -115.36 177.89 4.5 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.837 0.351 . . . . 0.0 111.277 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 64.9 mt -63.32 -36.76 84.75 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.638 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.35 -43.91 89.39 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.008 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.46 -43.44 93.21 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.876 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 28.3 tpt180 -71.16 -39.49 71.86 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.755 179.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -64.54 -35.38 80.78 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.185 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.91 39.74 89.37 Favored Glycine 0 C--N 1.334 0.452 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.531 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -129.77 -51.67 1.15 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.599 0.2 . . . . 0.0 111.275 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 29.6 mm -71.57 116.37 13.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -126.43 171.26 11.17 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.208 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . 0.404 ' HG3' ' HA ' ' B' ' 26' ' ' GLU . 6.1 mp0 -74.46 128.23 35.02 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.771 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.45 -18.99 55.9 Favored Glycine 0 CA--C 1.522 0.472 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.985 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -56.39 132.81 52.14 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.824 0.312 . . . . 0.0 111.098 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.7 t -99.9 125.83 53.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.355 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 21.3 t -97.48 131.24 44.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.421 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.1 -44.46 6.61 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.98 179.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.39 154.49 50.71 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.689 -179.349 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 37.1 mt -133.14 120.34 39.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 179.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 22.7 p30 43.85 38.1 1.96 Allowed 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.277 0.631 . . . . 0.0 111.892 -179.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.5 37.78 16.37 Favored Glycine 0 C--N 1.336 0.545 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.793 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.2 120.1 8.72 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.785 0.293 . . . . 0.0 110.627 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 18.3 t -65.3 138.59 22.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.535 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.73 37.75 4.21 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.236 -179.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -102.46 146.25 28.37 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 120.727 0.299 . . . . 0.0 110.219 179.11 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 4.8 m120 63.86 9.37 4.44 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.176 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -97.59 161.96 13.52 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 120.954 0.407 . . . . 0.0 111.213 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 10.4 m -77.4 150.71 35.03 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.823 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 8.2 tp -54.6 -30.06 53.52 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.895 179.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.98 -42.07 97.66 Favored 'General case' 0 C--O 1.231 0.086 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.75 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -56.73 -45.02 82.2 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.794 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.65 -38.93 72.84 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.651 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 9.1 mtmm -65.47 -38.11 88.83 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.327 179.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.2 -39.26 89.52 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.926 179.504 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.19 -36.06 67.96 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.795 0.331 . . . . 0.0 110.513 179.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 13.0 mt -75.05 -31.2 24.51 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 179.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.82 -49.39 53.1 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.077 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.34 -33.73 72.83 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.201 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' SER . . . . . 0.402 ' CB ' ' HG ' ' B' ' 72' ' ' LEU . 63.2 m -74.72 90.59 2.33 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.849 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.84 36.17 1.87 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.214 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -172.34 -102.74 0.16 Allowed Glycine 0 C--N 1.333 0.386 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.407 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.45 122.11 35.54 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.946 0.373 . . . . 0.0 111.07 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . 0.402 ' HG ' ' CB ' ' B' ' 68' ' ' SER . 0.3 OUTLIER -108.44 144.1 36.49 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.87 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.98 142.01 51.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.751 179.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 32.9 mtm -147.02 127.5 14.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.677 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 24.2 t -97.91 111.12 26.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.559 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 14.4 m -102.52 169.99 1.8 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.289 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -130.19 146.74 51.84 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.165 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -153.68 -58.74 0.13 Allowed 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.066 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -109.07 173.23 6.41 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.056 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -84.33 168.67 15.4 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.879 0.371 . . . . 0.0 111.228 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.36 -44.75 8.97 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.342 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 . . . . . 0 C--O 1.251 1.163 0 CA-C-O 118.681 -0.676 . . . . 0.0 111.647 -179.51 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 120.606 0.241 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.2 pttp -106.73 121.91 45.31 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.867 0.365 . . . . 0.0 111.316 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 36.3 t -104.22 127.14 58.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.883 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.0 m -129.05 105.57 8.28 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.788 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 89.2 mt -98.83 152.29 19.88 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.749 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.8 t -121.19 103.92 14.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.942 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.443 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 0.3 OUTLIER -85.17 151.44 24.1 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.986 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.6 m 68.19 176.94 0.26 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 61.23 75.96 0.39 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.847 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt 55.65 36.74 27.81 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.111 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -144.91 136.14 25.07 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.856 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -76.02 -174.03 2.55 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.249 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.0 pm0 -71.13 168.56 16.92 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.796 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.443 ' CZ ' ' HB2' ' A' ' 7' ' ' LYS . 26.8 m-85 -65.63 -47.5 75.38 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.266 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.59 14.95 45.13 Favored Glycine 0 C--N 1.336 0.558 0 C-N-CA 121.092 -0.575 . . . . 0.0 113.307 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.415 ' CD2' ' HB3' ' A' ' 14' ' ' TYR . 2.6 pp -86.2 112.24 21.16 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 117.377 0.588 . . . . 0.0 111.045 -179.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.467 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 2.9 ttm180 -73.65 130.97 41.13 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.305 179.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -117.67 163.75 16.01 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.11 0.481 . . . . 0.0 111.654 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.435 ' HB1' ' CZ ' ' B' ' 23' ' ' PHE . . . -157.18 -179.08 7.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.999 -179.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.1 p -134.9 149.25 50.25 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.107 0.48 . . . . 0.0 111.685 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.439 ' HD2' ' CE1' ' B' ' 23' ' ' PHE . 0.1 OUTLIER -116.18 176.08 5.26 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.637 179.812 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 30.6 mm -133.95 138.73 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-O 120.796 0.332 . . . . 0.0 111.34 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.468 ' CE1' ' HD2' ' B' ' 21' ' ' HIS . 10.1 p90 -147.81 -179.41 6.88 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.314 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.9 t -103.43 117.02 48.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.069 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.49 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 8.0 tptt -66.18 -39.72 89.91 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.341 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -174.43 175.56 2.55 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.864 0.364 . . . . 0.0 111.083 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.5 mt -130.16 137.27 56.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.042 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m -75.84 150.76 37.6 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.143 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -74.93 144.08 43.42 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.787 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.01 33.45 21.36 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.939 -179.546 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.533 ' HB2' ' HA3' ' B' ' 15' ' ' GLY . 24.2 p -103.92 177.75 4.75 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.274 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.409 ' CD1' ' HA ' ' B' ' 14' ' ' TYR . 0.4 OUTLIER -62.55 -41.78 99.12 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.816 179.912 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.12 -43.1 99.57 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.878 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.79 -36.74 84.37 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.952 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.1 tpt180 -71.6 -41.03 69.45 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.848 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.43 -38.4 74.54 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.447 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.49 36.41 54.58 Favored Glycine 0 C--N 1.334 0.422 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.494 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -118.94 -51.32 2.35 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.483 0.182 . . . . 0.0 110.832 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.41 HD12 HG22 ' B' ' 3' ' ' VAL . 32.9 mm -73.34 125.33 32.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.791 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -131.45 155.68 46.94 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.861 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -60.09 119.67 8.26 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.977 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.89 -19.58 40.8 Favored Glycine 0 CA--C 1.522 0.504 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.686 -179.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.55 123.02 13.38 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.893 0.378 . . . . 0.0 111.1 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.2 t -89.52 120.9 39.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.015 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 20.8 t -89.61 120.43 38.35 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.343 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.07 -47.68 9.95 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.903 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.9 mtpt -136.74 156.23 48.79 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 120.978 0.418 . . . . 0.0 111.493 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 28.3 mt -136.16 118.94 21.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.55 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 56.98 36.75 28.2 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.165 -179.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.35 35.89 41.05 Favored Glycine 0 CA--C 1.521 0.465 0 C-N-CA 120.963 -0.637 . . . . 0.0 112.686 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.76 132.84 24.43 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.54 0.21 . . . . 0.0 110.701 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.3 t -64.63 143.19 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.099 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.26 43.7 2.93 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.062 179.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -115.95 143.99 44.68 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 178.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 65.23 9.44 5.62 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.784 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.6 ttm -98.53 147.66 24.55 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.844 0.354 . . . . 0.0 110.916 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.2 m -61.99 147.57 46.65 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 65.4 tp -54.22 -31.43 53.18 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.667 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.05 -40.39 94.69 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.851 179.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.04 -43.4 77.83 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.792 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.15 -42.07 85.12 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.954 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.9 mttm -62.14 -34.88 77.2 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.564 179.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.8 m -66.53 -40.1 88.97 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 179.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.8 mt -55.52 -34.21 64.44 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.922 0.391 . . . . 0.0 110.42 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 33.0 mt -71.64 -31.06 40.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.62 179.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -74.68 -36.53 62.79 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.789 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -69.81 -25.23 63.67 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.454 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.5 m -64.65 100.2 0.37 Allowed 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 120.771 0.319 . . . . 0.0 110.946 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.8 mmpt? -62.81 -56.34 18.31 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.743 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -124.44 -88.7 0.8 Allowed Glycine 0 C--N 1.336 0.566 0 C-N-CA 120.748 -0.739 . . . . 0.0 113.101 -179.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.35 144.76 48.15 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.755 0.312 . . . . 0.0 110.854 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.452 ' HB2' ' CE1' ' B' ' 14' ' ' TYR . 0.4 OUTLIER -121.36 125.19 46.37 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.005 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -108.36 126.8 53.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.634 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 4.9 mtm -137.37 126.09 23.88 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.721 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.9 t -98.22 111.08 27.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.944 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 10.7 m -105.62 174.19 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.433 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -107.47 133.13 52.42 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.062 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.7 mmm-85 -170.59 167.05 8.1 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -101.26 89.92 3.94 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.044 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -169.76 157.23 6.79 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.069 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 63.64 75.84 0.38 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.792 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 . . . . . 0 C--O 1.252 1.203 0 CA-C-O 118.337 -0.84 . . . . 0.0 110.986 -179.979 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 6.7 m . . . . . 0 N--CA 1.489 1.495 0 CA-C-O 120.68 0.276 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -114.58 132.09 56.46 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.247 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . 0.41 HG22 HD12 ' A' ' 39' ' ' ILE . 17.8 t -109.77 132.19 58.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.2 108.92 10.72 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.13 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 73.1 mt -103.39 157.77 16.8 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.053 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 21.8 t -129.58 100.76 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.86 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -67.9 101.54 1.11 Allowed 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.12 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -110.09 169.28 8.83 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.022 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 67.08 177.45 0.24 Allowed 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.085 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 28.8 tttp -101.41 103.8 14.74 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.878 0.37 . . . . 0.0 111.279 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -177.88 -39.34 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.47 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.451 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 60.54 60.31 2.0 Allowed 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.025 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -139.36 104.67 5.03 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.185 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . 0.452 ' CE1' ' HB2' ' A' ' 72' ' ' LEU . 97.3 m-85 -75.51 -24.3 56.81 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.287 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . 0.533 ' HA3' ' HB2' ' A' ' 31' ' ' SER . . . 72.61 39.76 55.26 Favored Glycine 0 C--N 1.334 0.472 0 C-N-CA 120.999 -0.619 . . . . 0.0 112.765 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 2.5 pp -124.64 125.23 43.79 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.853 0.359 . . . . 0.0 111.16 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.49 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -86.67 120.19 27.72 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.781 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.96 135.93 39.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.728 -179.394 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.41 ' HB1' ' HB2' ' A' ' 25' ' ' LYS . . . -133.6 179.48 6.19 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.721 179.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.422 ' O ' ' HG2' ' B' ' 54' ' ' GLU . 88.1 p -147.27 144.49 28.88 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -179.55 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' HIS . . . . . 0.468 ' HD2' ' CE1' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -119.69 177.77 4.83 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.919 179.64 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 38.0 mm -128.17 141.3 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.092 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.439 ' CE1' ' HD2' ' A' ' 21' ' ' HIS . 12.1 p90 -147.63 175.48 10.84 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.249 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 24.7 t -93.88 125.46 46.47 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-O 120.838 0.351 . . . . 0.0 110.997 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 14.2 tptm -75.22 -42.0 56.46 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.663 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -170.96 174.4 4.77 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.885 0.374 . . . . 0.0 111.412 -179.411 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 8.9 mm -123.25 133.22 69.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.623 179.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -77.88 145.25 36.33 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.707 0.289 . . . . 0.0 111.025 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.01 140.59 42.04 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.75 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 58.15 40.36 25.09 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.262 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 59.1 m -118.25 178.07 4.57 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.964 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 68.0 mt -56.22 -43.99 79.13 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.103 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.42 -45.59 91.13 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.296 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.8 -38.53 91.02 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.107 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 13.9 mmt-85 -73.51 -41.87 62.5 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.005 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.54 -33.67 74.52 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.465 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.12 29.23 73.78 Favored Glycine 0 C--N 1.335 0.516 0 C-N-CA 120.899 -0.667 . . . . 0.0 113.052 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -110.12 -32.75 6.89 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.723 0.261 . . . . 0.0 111.442 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 23.6 mt -97.05 133.02 40.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-O 120.731 0.301 . . . . 0.0 111.201 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -137.34 171.72 14.06 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -72.18 117.94 14.44 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.781 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.08 4.22 44.75 Favored Glycine 0 CA--C 1.523 0.593 0 C-N-CA 121.026 -0.607 . . . . 0.0 113.186 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.76 111.62 9.08 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 117.078 0.439 . . . . 0.0 110.837 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 23.4 t -80.24 104.85 9.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.982 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 21.6 t -83.5 120.84 35.36 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.378 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 7.3 tt -92.87 -37.0 12.52 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.979 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 19.9 mtpt -136.46 152.72 50.88 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.83 0.348 . . . . 0.0 111.496 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 26.0 mt -140.87 120.32 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.435 179.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 57.9 33.18 22.92 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 -179.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.79 33.89 32.56 Favored Glycine 0 C--N 1.336 0.556 0 C-N-CA 120.939 -0.648 . . . . 0.0 113.071 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.26 128.27 15.53 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.807 0.304 . . . . 0.0 110.995 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 22.1 t -69.1 140.06 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.744 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.45 20.94 15.03 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' B' ' 20' ' ' SER . 9.8 tm-20 -92.84 145.77 24.14 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.91 0.386 . . . . 0.0 110.484 179.294 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 74.49 -1.72 3.01 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.095 -179.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 1.9 ttm -97.27 165.99 11.77 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.908 0.385 . . . . 0.0 110.987 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.15 151.85 39.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.741 179.627 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 39.2 tp -54.78 -30.67 57.44 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.572 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.36 -38.88 91.38 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.813 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.34 -43.41 83.37 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.891 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.63 -39.62 81.03 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.767 0.318 . . . . 0.0 110.749 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 6.8 mtpt -64.9 -36.53 84.65 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.587 179.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.31 -42.73 96.17 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.005 179.451 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 2.7 mt -56.0 -36.98 68.52 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.824 0.345 . . . . 0.0 110.148 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 17.8 mt -73.59 -32.03 34.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.774 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -71.24 -46.72 60.44 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.773 0.321 . . . . 0.0 110.972 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -61.06 -26.74 67.85 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.495 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' SER . . . . . 0.452 ' CB ' ' HG ' ' B' ' 72' ' ' LEU . 36.5 m -64.53 95.9 0.15 Allowed 'General case' 0 CA--C 1.53 0.198 0 CA-C-O 120.886 0.374 . . . . 0.0 111.068 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.58 -33.83 35.74 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.437 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -121.62 -98.39 1.54 Allowed Glycine 0 C--N 1.337 0.616 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.973 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -80.73 146.77 30.87 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.787 0.327 . . . . 0.0 111.068 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . 0.452 ' HG ' ' CB ' ' B' ' 68' ' ' SER . 0.5 OUTLIER -121.16 119.37 32.16 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 3.4 tttt -103.24 129.06 50.08 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.591 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 22.2 mtp -137.6 122.68 19.12 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.028 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 20.3 t -98.74 112.61 31.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.929 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 6.0 m -109.4 175.62 1.54 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.388 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.24 163.5 13.59 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.967 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.81 64.2 1.51 Allowed 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 120.866 0.365 . . . . 0.0 111.348 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -86.85 151.16 23.59 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.223 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 63.04 86.56 0.12 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.29 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -160.7 129.43 4.7 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.18 -0.914 . . . . 0.0 111.242 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.0 p . . . . . 0 N--CA 1.492 1.635 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.6 pttp -116.27 135.57 53.77 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.831 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.0 t -114.82 131.66 66.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.169 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.96 105.59 8.31 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.776 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 75.7 mt -100.35 142.76 31.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.587 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.0 t -113.18 101.57 12.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.952 0.406 . . . . 0.0 111.164 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.423 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 0.6 OUTLIER -84.05 100.89 11.38 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.955 179.882 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.6 t -173.01 159.14 3.91 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.799 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.8 mtt180 62.81 -173.11 0.16 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.296 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.55 60.5 5.71 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 120.928 0.394 . . . . 0.0 110.883 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -117.83 15.49 14.36 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.181 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 65.64 160.18 0.12 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.021 0.439 . . . . 0.0 111.569 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.68 -177.65 4.37 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.867 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.467 ' CE1' ' HB2' ' B' ' 72' ' ' LEU . 38.1 m-85 -57.95 -42.63 85.36 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.198 -179.587 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 50.32 53.8 22.59 Favored Glycine 0 C--N 1.336 0.583 0 C-N-CA 121.401 -0.428 . . . . 0.0 112.972 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 pp -124.84 124.94 43.16 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.887 0.375 . . . . 0.0 111.071 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.473 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.3 OUTLIER -72.36 121.55 19.69 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.692 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.37 135.38 41.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.612 -179.314 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.404 ' CB ' ' CZ ' ' B' ' 23' ' ' PHE . . . -137.29 177.0 8.21 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.788 179.497 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 83.0 p -142.11 155.43 45.35 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.109 0.481 . . . . 0.0 111.609 -179.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.419 ' HD2' ' CE1' ' B' ' 23' ' ' PHE . 0.1 OUTLIER -122.06 178.73 4.78 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.265 179.586 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.428 HG13 ' HB ' ' A' ' 53' ' ' THR . 29.3 mm -131.55 139.32 50.95 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.156 0 CA-C-O 120.705 0.288 . . . . 0.0 111.248 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.401 ' CE1' ' HD2' ' B' ' 21' ' ' HIS . 8.8 p90 -149.47 177.39 9.76 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.056 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.1 t -104.29 111.76 35.17 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.927 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.436 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 1.5 tttp -62.64 -49.84 73.57 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.441 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -162.58 174.81 12.12 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.094 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.6 mp -123.99 146.96 28.63 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.067 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.5 t -90.93 151.28 21.17 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.871 0.367 . . . . 0.0 111.109 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -75.81 159.59 30.86 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.683 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.1 p30 42.33 34.88 0.55 Allowed 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.911 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.0 m -111.1 174.78 5.7 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.882 0.372 . . . . 0.0 110.594 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.6 mt -58.37 -41.88 85.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.83 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.86 -41.77 96.56 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.183 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.84 -39.86 87.77 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.353 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.39 -47.63 54.99 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.362 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.2 -37.71 88.45 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.598 0.237 . . . . 0.0 111.389 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.45 40.58 96.36 Favored Glycine 0 C--N 1.334 0.459 0 C-N-CA 121.172 -0.537 . . . . 0.0 113.125 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -122.33 8.84 9.69 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 mp -129.08 139.74 51.08 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-O 120.629 0.252 . . . . 0.0 111.231 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -132.1 156.2 46.77 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.009 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -67.83 121.48 16.1 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.629 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.38 -16.98 57.47 Favored Glycine 0 CA--C 1.523 0.583 0 C-N-CA 120.89 -0.671 . . . . 0.0 113.006 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.16 128.04 34.97 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.87 0.335 . . . . 0.0 111.218 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 28.2 t -83.24 135.02 25.64 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.411 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 24.8 t -104.84 124.44 59.48 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.99 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -91.7 -45.69 8.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.822 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -133.42 156.7 47.21 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.386 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.2 mt -139.56 128.02 27.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.509 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.5 t30 55.21 30.58 14.84 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.305 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.44 34.31 36.45 Favored Glycine 0 C--N 1.337 0.622 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.926 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.81 144.63 28.32 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.652 0.263 . . . . 0.0 110.863 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.9 t -73.19 144.38 12.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.791 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.428 ' HB ' HG13 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -128.51 20.79 6.12 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.649 -179.834 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.98 150.3 28.98 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 120.937 0.399 . . . . 0.0 110.815 179.398 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 50.52 19.49 0.58 Allowed 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.302 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.2 tpp -99.26 162.42 13.06 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.721 0.296 . . . . 0.0 110.571 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 m -72.81 143.57 47.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.658 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 66.7 tp -54.8 -32.96 60.93 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.732 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -37.32 86.29 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.531 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -58.4 -42.32 86.86 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.48 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.05 -37.47 71.85 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.4 mttm -64.21 -36.66 84.79 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.655 179.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.11 -43.37 98.99 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.757 179.574 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.88 -37.76 69.24 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.375 179.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 33.5 mt -72.85 -32.44 40.23 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.804 179.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -73.69 -43.14 60.11 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.776 0.322 . . . . 0.0 110.736 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 -67.73 -23.02 65.21 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.706 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 73.6 m -54.73 111.71 0.87 Allowed 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 120.762 0.315 . . . . 0.0 110.917 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 23.3 mtmm -63.93 -33.09 74.93 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.422 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -174.82 -62.05 0.05 OUTLIER Glycine 0 C--N 1.334 0.427 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.046 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.6 pttt -83.73 128.34 34.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.817 0.341 . . . . 0.0 111.348 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.405 HD12 ' CE2' ' B' ' 14' ' ' TYR . 0.6 OUTLIER -115.84 133.88 55.57 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -125.58 105.77 9.27 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.067 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -114.0 128.76 56.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.804 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 18.1 t -97.81 131.78 44.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.753 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.419 ' CG2' ' HB ' ' B' ' 1' ' ' THR . 29.3 m -108.37 173.77 1.77 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.454 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -92.66 132.83 36.57 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -127.75 -178.24 4.42 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.947 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 62.93 -175.76 0.15 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.29 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -158.48 -45.79 0.06 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.445 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 40.6 mt -54.47 128.33 31.47 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.09 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.151 -0.928 . . . . 0.0 111.411 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' THR . . . . . 0.419 ' HB ' ' CG2' ' A' ' 76' ' ' VAL . 61.9 m . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 120.672 0.273 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.43 142.13 42.58 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.315 -179.565 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 22.2 t -121.69 111.15 29.8 Favored 'Isoleucine or valine' 0 C--O 1.231 0.118 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.929 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 3.9 m -110.36 122.22 47.17 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.998 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 86.1 mt -121.23 156.67 31.95 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.845 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 18.6 t -133.43 102.07 4.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.867 0.365 . . . . 0.0 111.154 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.46 ' HB2' ' CE1' ' B' ' 14' ' ' TYR . 0.0 OUTLIER -90.91 142.36 27.85 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.326 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 14.8 t -95.85 158.23 15.54 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.058 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 24.3 mtt-85 -94.51 26.46 3.43 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.308 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 26.6 tttp -110.62 -68.3 0.94 Allowed 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.526 0.203 . . . . 0.0 111.109 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -166.45 68.01 0.11 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.978 0.418 . . . . 0.0 110.908 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -148.24 130.03 15.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.81 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -122.79 150.43 42.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.803 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . 0.46 ' CE1' ' HB2' ' B' ' 7' ' ' LYS . 48.0 m-85 -60.3 -36.23 77.4 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.161 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.39 32.3 72.28 Favored Glycine 0 C--N 1.335 0.498 0 C-N-CA 120.993 -0.623 . . . . 0.0 112.848 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 2.8 pp -102.32 118.39 36.78 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.844 0.354 . . . . 0.0 110.781 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.436 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -75.79 109.56 9.49 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.481 179.867 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -95.14 136.18 35.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.242 -179.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -137.36 167.15 22.17 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.108 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 59.8 p -132.96 141.3 48.25 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.823 0.344 . . . . 0.0 111.634 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' HIS . . . . . 0.401 ' HD2' ' CE1' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -105.24 179.36 4.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.767 179.647 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 32.0 mm -132.31 140.08 48.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.412 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.419 ' CE1' ' HD2' ' A' ' 21' ' ' HIS . 12.9 p90 -149.42 177.47 9.67 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.369 179.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.2 t -101.32 113.2 36.77 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.074 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.473 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 4.0 tptt -64.06 -35.58 81.2 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.239 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -175.38 172.12 2.74 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.815 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 3.8 mp -126.53 133.08 69.49 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.956 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 69.5 m -76.82 157.3 31.63 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.007 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -84.18 152.24 24.37 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.116 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 59.8 32.78 21.5 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.258 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 52.1 p -114.33 174.26 6.04 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.779 0.323 . . . . 0.0 111.263 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 12.7 mt -61.26 -42.08 98.03 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.053 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.05 -43.26 99.15 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.655 0.264 . . . . 0.0 110.869 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.9 -36.78 78.44 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.986 179.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 -71.71 -43.86 65.19 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.631 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.07 -37.26 83.69 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.997 179.676 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.83 38.78 89.67 Favored Glycine 0 C--N 1.334 0.44 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.813 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 75.7 m-80 -125.67 4.72 7.48 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 20.8 mm -127.16 108.35 18.45 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-O 120.704 0.287 . . . . 0.0 110.964 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.32 152.72 21.22 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.806 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -59.2 119.61 7.67 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.954 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.5 -11.8 46.97 Favored Glycine 0 CA--C 1.523 0.552 0 C-N-CA 120.783 -0.722 . . . . 0.0 113.181 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.81 123.85 15.57 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.969 0.385 . . . . 0.0 111.065 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.3 t -85.84 119.51 34.32 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 23.5 t -88.15 138.6 18.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.262 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.3 pp -110.24 -37.52 5.52 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.338 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 2.9 mtpp -142.21 155.64 45.28 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.924 0.392 . . . . 0.0 111.309 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 35.3 mt -140.58 122.66 15.34 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.468 179.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 56.58 36.06 27.02 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.164 -179.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.27 31.41 51.9 Favored Glycine 0 CA--C 1.523 0.562 0 C-N-CA 120.948 -0.644 . . . . 0.0 113.264 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.14 132.66 17.7 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 117.014 0.407 . . . . 0.0 110.855 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 29.5 t -68.7 136.93 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.712 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.34 18.12 21.38 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.873 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -80.83 151.79 28.53 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 179.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 1.9 p30 61.28 7.11 1.56 Allowed 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.468 -179.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 2.1 ttm -97.32 148.4 23.19 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.712 0.291 . . . . 0.0 110.531 179.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.3 146.05 52.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.629 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 60.4 tp -53.66 -32.19 50.61 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.816 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.33 -40.21 81.68 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.807 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -57.46 -37.32 72.67 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.407 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.93 -38.08 81.35 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.105 178.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' B' ' 63' ' ' THR . 0.0 OUTLIER -61.71 -34.19 75.35 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.243 178.813 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' THR . . . . . 0.446 ' N ' ' HG3' ' B' ' 62' ' ' LYS . 0.2 OUTLIER -70.52 -41.94 71.9 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.995 179.691 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.7 mt -55.38 -34.73 64.59 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.574 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 22.2 mt -70.7 -32.31 48.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.778 179.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -76.45 -39.77 52.42 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 120.836 0.351 . . . . 0.0 110.955 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -63.83 -26.03 68.44 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.417 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 44.1 t -47.73 113.24 0.67 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.805 0.336 . . . . 0.0 111.507 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.64 79.46 9.35 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.588 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.15 -77.7 2.09 Favored Glycine 0 C--N 1.333 0.369 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.753 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.7 mtmm -84.18 139.77 32.18 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-O 120.792 0.33 . . . . 0.0 111.274 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . 0.467 ' HB2' ' CE1' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -119.53 115.94 25.06 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.654 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.39 115.52 29.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.504 179.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -124.22 126.54 46.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.144 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 14.0 t -106.99 128.46 61.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.655 179.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 28.9 m -131.67 177.26 7.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.396 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -95.83 159.24 15.08 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.955 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 19.9 ptt180 -71.51 174.77 6.2 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.299 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -98.69 179.07 4.79 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.186 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -78.73 177.01 8.99 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.19 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 mt -106.44 125.21 50.72 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 4.4 pm0 . . . . . 0 C--O 1.251 1.176 0 CA-C-O 118.491 -0.766 . . . . 0.0 111.221 179.949 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.5 p . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.58 138.15 41.27 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.892 0.377 . . . . 0.0 111.312 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 23.5 t -116.21 127.21 73.87 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.936 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.37 114.55 16.99 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.001 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.42 HD22 HD13 ' B' ' 39' ' ' ILE . 3.4 mm? -110.19 152.87 25.54 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.959 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.2 t -119.8 99.43 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.056 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.537 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 0.4 OUTLIER -74.85 132.52 41.58 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.141 179.809 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.3 p -102.97 -147.54 0.38 Allowed 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.733 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.41 -177.45 0.55 Allowed 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 120.504 0.192 . . . . 0.0 110.985 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.5 tttm -78.86 57.66 2.18 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.101 0.477 . . . . 0.0 110.833 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -140.24 -39.19 0.44 Allowed 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.527 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -117.98 90.85 3.42 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.728 0.299 . . . . 0.0 110.647 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -73.57 171.59 12.93 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.681 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.537 ' CZ ' ' HB2' ' A' ' 7' ' ' LYS . 60.3 m-85 -57.93 -40.85 81.47 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.265 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.97 42.57 77.27 Favored Glycine 0 C--N 1.334 0.432 0 C-N-CA 120.997 -0.621 . . . . 0.0 113.09 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 pp -128.41 124.58 36.63 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.892 0.377 . . . . 0.0 110.781 179.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.444 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 2.6 mmm180 -81.7 115.61 21.03 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.746 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.413 HD11 ' CG2' ' B' ' 22' ' ' ILE . 0.2 OUTLIER -93.97 139.51 30.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.909 0.385 . . . . 0.0 111.405 -179.769 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.407 ' CB ' ' CZ ' ' B' ' 23' ' ' PHE . . . -140.37 172.22 13.04 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.935 179.506 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 99.2 p -132.16 145.69 51.53 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.888 0.375 . . . . 0.0 111.78 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -117.61 177.84 4.61 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.147 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.441 HG13 ' HB ' ' A' ' 53' ' ' THR . 29.0 mm -131.94 141.68 44.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.239 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -149.64 178.57 8.73 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.376 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.2 t -102.54 124.78 56.74 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.112 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.2 tptt -78.3 -36.54 46.43 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.389 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -173.4 171.11 4.05 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.671 0.272 . . . . 0.0 111.453 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.5 mm -121.75 147.49 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.981 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.0 t -90.14 148.78 22.77 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.899 0.38 . . . . 0.0 111.211 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.3 mp0 -83.04 146.17 28.88 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.444 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.3 t0 57.92 34.15 24.0 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.987 -179.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.9 p -113.98 -178.98 3.51 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.821 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.476 HD13 ' HA ' ' B' ' 7' ' ' LYS . 13.8 mt -60.23 -41.09 92.38 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.18 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.23 -44.64 88.31 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.186 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.77 -35.8 77.53 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.281 179.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.1 ttt85 -73.73 -39.89 63.96 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.095 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.17 -35.28 56.05 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.498 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.32 49.09 59.28 Favored Glycine 0 C--N 1.334 0.454 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.79 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -126.5 -46.8 1.59 Allowed 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.728 0.264 . . . . 0.0 111.602 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.3 mp -85.4 140.95 15.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-O 120.682 0.277 . . . . 0.0 111.314 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -136.7 169.2 18.12 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.171 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -72.84 118.47 15.81 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.793 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.77 -9.87 48.25 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 120.917 -0.658 . . . . 0.0 113.268 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.38 140.01 46.83 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 117.042 0.421 . . . . 0.0 110.814 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 28.2 t -104.35 105.57 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.189 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.9 t -86.19 133.21 30.26 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -119.05 -8.88 10.13 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 179.599 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.404 ' N ' HD12 ' A' ' 46' ' ' LEU . 1.5 mttt -153.76 144.35 22.47 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.697 0.284 . . . . 0.0 110.957 179.182 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 21.0 mt -135.29 118.73 24.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.547 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 45.8 m-20 56.96 34.75 25.4 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.103 -179.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.59 36.24 30.26 Favored Glycine 0 C--N 1.336 0.581 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.959 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.17 125.56 13.14 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.698 0.285 . . . . 0.0 110.732 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 19.2 t -70.88 134.52 29.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.023 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.441 ' HB ' HG13 ' A' ' 22' ' ' ILE . 0.6 OUTLIER -113.35 37.26 3.25 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.301 179.823 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -95.23 143.45 26.62 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.085 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.3 m120 67.3 9.89 7.32 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.939 -179.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -100.58 162.76 12.71 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.781 0.324 . . . . 0.0 111.291 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.5 m -73.91 147.15 43.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.609 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.7 tp -55.08 -31.13 60.96 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.801 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.08 -40.02 94.42 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.16 -43.07 87.22 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.781 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.55 -39.23 76.18 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.557 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.1 mtpt -64.16 -39.23 93.57 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.368 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.85 -40.76 98.44 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.209 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.89 -35.04 66.09 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.691 0.282 . . . . 0.0 110.651 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 24.4 mt -74.17 -31.41 29.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.668 179.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -74.75 -41.51 59.96 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.91 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -64.6 -25.5 68.0 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.357 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.453 ' CB ' ' HG ' ' A' ' 72' ' ' LEU . 58.1 m -62.99 106.84 0.89 Allowed 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.848 0.356 . . . . 0.0 111.235 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.11 80.86 2.03 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.741 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 116.15 -94.81 0.66 Allowed Glycine 0 C--N 1.332 0.312 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.607 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 48.2 mttm -87.82 142.27 27.94 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 120.695 0.283 . . . . 0.0 111.181 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.453 ' HG ' ' CB ' ' A' ' 68' ' ' SER . 0.5 OUTLIER -120.77 136.83 54.78 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 179.879 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -119.46 124.62 46.93 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.697 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 8.0 mtm -132.73 122.2 24.21 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.048 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.2 t -103.57 133.06 48.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.956 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 29.4 m -129.65 177.19 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.394 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -113.5 111.41 21.87 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.962 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.14 -175.98 2.95 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.02 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.65 124.09 30.47 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.39 -179.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -146.31 134.79 22.0 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.886 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.7 tp -123.65 -53.66 1.77 Allowed 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.809 -179.864 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 13.8 p . . . . . 0 N--CA 1.493 1.704 0 CA-C-O 120.691 0.281 . . . . 0.0 111.709 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 42.5 mttt -125.81 128.15 47.23 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.779 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 33.5 t -103.5 129.7 55.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.012 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 29.2 m -127.8 108.85 11.07 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.8 0.333 . . . . 0.0 110.933 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 46.6 mt -102.85 153.67 19.96 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.641 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 15.6 t -125.99 99.94 6.32 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-O 120.835 0.35 . . . . 0.0 111.247 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.476 ' HA ' HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -73.72 130.34 39.78 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 179.914 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 29.1 m -115.57 156.25 26.11 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.785 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 61.81 -173.01 0.14 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.09 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 pttm -109.03 -27.45 9.64 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.511 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 -95.93 39.32 1.14 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 120.742 0.306 . . . . 0.0 111.297 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -129.18 150.5 50.54 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.793 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -137.55 161.77 35.53 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.195 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . 0.418 ' CE1' ' HB2' ' A' ' 72' ' ' LEU . 69.9 m-85 -74.36 -31.76 62.52 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.118 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.73 45.21 96.23 Favored Glycine 0 C--N 1.335 0.51 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.955 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 pp -115.37 114.66 25.41 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.002 0.43 . . . . 0.0 110.777 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 2.2 ttm-85 -74.22 111.6 9.56 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.59 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -97.4 134.23 40.93 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.611 -179.276 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -133.34 165.06 25.7 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.562 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 84.1 p -126.13 148.73 49.32 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 121.081 0.467 . . . . 0.0 111.765 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -119.38 179.09 4.3 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.792 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . 0.419 HG13 ' HB ' ' B' ' 53' ' ' THR . 21.8 mm -132.68 141.9 43.85 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.12 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.407 ' CZ ' ' CB ' ' A' ' 19' ' ' ALA . 12.8 p90 -149.5 175.48 11.46 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.965 179.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 42.6 t -104.8 116.08 47.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.991 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.444 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 1.7 tptm -56.49 -46.97 80.22 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.415 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -171.98 172.68 4.65 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.892 0.377 . . . . 0.0 111.383 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 5.7 mm -114.91 141.4 31.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.454 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 22.0 p -93.5 138.28 31.95 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.732 0.301 . . . . 0.0 110.539 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -69.78 151.57 45.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.291 -179.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 58.91 45.43 15.17 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.183 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 2.7 m -134.55 175.07 9.87 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.218 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' A' ' 7' ' ' LYS . 42.7 mt -55.43 -43.75 75.65 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.55 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.91 -48.0 83.47 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.631 0.253 . . . . 0.0 111.218 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.68 -35.39 80.4 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.215 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 -75.94 -41.05 52.82 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.32 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.16 -34.71 75.39 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.539 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.03 43.71 80.64 Favored Glycine 0 C--N 1.334 0.444 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.932 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -123.55 -57.6 1.64 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.601 0.239 . . . . 0.0 111.06 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . 0.42 HD13 HD22 ' A' ' 5' ' ' LEU . 3.9 mt -68.9 134.96 29.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -121.34 171.15 8.96 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.418 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -81.04 99.95 8.73 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.057 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.27 6.36 36.44 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 121.017 -0.611 . . . . 0.0 114.124 179.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -65.18 142.06 58.46 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 117.548 0.674 . . . . 0.0 110.803 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.9 t -91.31 116.17 31.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.072 -179.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 20.8 t -94.04 137.54 22.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.229 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.2 mt -112.64 -39.86 4.21 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.072 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -135.41 153.36 51.82 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.862 0.363 . . . . 0.0 111.558 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 29.7 mt -139.24 124.87 22.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.592 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 53.28 35.04 19.13 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.356 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.42 33.75 42.66 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.836 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.81 133.86 20.36 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.729 0.264 . . . . 0.0 110.665 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 13.2 t -76.35 136.09 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.958 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' THR . . . . . 0.419 ' HB ' HG13 ' B' ' 22' ' ' ILE . 0.7 OUTLIER -116.72 29.86 7.68 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.497 179.766 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -85.68 146.45 26.83 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 178.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 4.9 m120 63.86 10.94 5.58 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.122 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -100.09 164.34 12.02 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-O 120.745 0.307 . . . . 0.0 110.906 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 43.4 p -77.03 153.27 34.62 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.557 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 21.2 tp -57.13 -29.29 63.44 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.674 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.33 -39.98 94.99 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.845 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -57.9 -47.98 81.22 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.837 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.8 -38.39 75.45 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.783 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -33.2 75.4 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.462 179.312 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.96 -43.34 92.99 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.99 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 2.6 mt -54.69 -37.32 65.65 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.893 0.378 . . . . 0.0 110.423 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 27.7 mt -75.5 -30.91 22.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.937 179.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -75.69 -47.74 24.94 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.691 0.282 . . . . 0.0 110.804 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.5 -27.82 69.4 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.558 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 6.6 t -58.09 114.17 2.24 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.691 0.282 . . . . 0.0 111.189 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt -84.47 -33.6 23.59 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.198 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -139.31 -111.31 0.96 Allowed Glycine 0 C--N 1.337 0.619 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.815 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 25.8 ttmt -61.81 145.18 53.39 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.884 0.373 . . . . 0.0 111.558 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -133.07 131.4 40.55 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.002 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.08 145.13 30.93 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.564 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 10.2 mtm -149.24 121.61 8.45 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.823 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 21.9 t -99.17 120.84 49.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 33.8 m -118.97 160.75 18.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.637 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -97.71 157.91 15.8 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.01 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 3.7 ttm180 68.75 172.25 0.29 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.046 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -158.59 154.24 26.25 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.298 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.32 -19.09 59.83 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.541 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.33 -37.54 87.4 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 120.558 0.218 . . . . 0.0 111.173 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.177 -0.916 . . . . 0.0 111.27 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.493 1.681 0 CA-C-O 120.522 0.201 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.26 123.37 47.23 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.899 0.38 . . . . 0.0 111.178 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.3 t -103.71 124.09 57.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.81 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.82 113.22 15.66 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.846 0.355 . . . . 0.0 111.058 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -107.08 159.47 16.28 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.401 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.6 t -139.49 101.26 1.45 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-O 120.813 0.34 . . . . 0.0 111.285 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.453 ' CG ' ' HA2' ' B' ' 70' ' ' GLY . 15.9 ptpt -80.51 149.72 29.91 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.934 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.9 160.96 29.97 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.826 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.3 mmt180 -62.29 100.3 0.17 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 59.91 36.95 21.78 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.874 -179.361 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -164.74 153.7 12.84 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.84 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 58.94 84.31 0.11 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.326 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -75.53 171.4 14.35 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.233 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.484 ' CZ ' ' HB2' ' B' ' 72' ' ' LEU . 67.3 m-85 -72.52 -38.96 67.93 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.454 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.15 49.51 74.91 Favored Glycine 0 C--N 1.335 0.506 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.526 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 pp -121.97 132.09 54.35 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.774 0.321 . . . . 0.0 110.88 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.452 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 1.2 mmt180 -90.0 114.21 26.02 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -103.29 133.89 47.6 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.42 ' HB2' ' CZ ' ' B' ' 23' ' ' PHE . . . -138.34 165.14 27.52 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.167 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 88.6 p -131.82 151.32 51.76 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.204 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.463 ' HD2' ' CE1' ' B' ' 23' ' ' PHE . 0.2 OUTLIER -115.9 177.84 4.53 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 179.857 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.4 mm -133.16 114.19 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.71 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.469 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 19.7 p90 -118.35 -175.98 2.98 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 120.814 0.34 . . . . 0.0 111.279 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -95.65 118.13 41.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 120.885 0.374 . . . . 0.0 111.596 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.476 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 23.3 tptm -74.97 -38.08 61.77 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.139 179.489 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -175.02 174.02 2.55 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.895 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.2 mp -139.89 136.37 38.69 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.754 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.9 m -87.76 150.8 23.36 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.236 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -79.74 161.17 25.91 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.828 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 59.56 28.0 17.31 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.174 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.2 m -118.15 169.68 9.49 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.848 0.356 . . . . 0.0 110.966 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.422 HD11 ' CD1' ' B' ' 14' ' ' TYR . 5.3 mt -59.14 -38.49 79.8 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.177 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.95 -45.12 95.08 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.569 0.223 . . . . 0.0 111.01 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.6 -39.43 88.37 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.903 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.34 -39.99 67.72 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.965 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -69.31 -36.83 77.39 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.049 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.72 28.78 73.95 Favored Glycine 0 C--N 1.334 0.434 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.669 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.409 ' HB3' HG21 ' B' ' 3' ' ' VAL . 4.2 m-80 -108.75 -23.49 11.75 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.758 0.279 . . . . 0.0 111.739 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -108.36 100.89 11.69 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-O 120.758 0.313 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.16 152.86 23.99 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.666 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -58.88 128.62 38.11 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.832 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.34 -23.97 31.55 Favored Glycine 0 CA--C 1.522 0.521 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.929 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.95 132.42 53.97 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.838 0.319 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 20.2 t -96.93 122.71 48.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.273 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.5 t -94.54 144.74 9.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.05 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.8 mp -119.19 -36.98 3.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.497 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.13 150.08 50.67 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 121.028 0.442 . . . . 0.0 111.876 -179.334 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 8.9 mm -131.23 110.03 17.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.396 179.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 56.54 35.26 25.75 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.404 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.17 25.84 42.73 Favored Glycine 0 CA--C 1.521 0.452 0 C-N-CA 120.865 -0.683 . . . . 0.0 113.131 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -140.32 122.55 15.86 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.854 0.327 . . . . 0.0 110.46 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.7 t -67.45 133.85 30.98 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.137 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.056 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -112.93 36.45 3.48 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.169 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.91 142.05 28.07 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.23 179.249 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.3 m120 65.62 12.18 8.05 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.863 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -98.4 163.73 12.58 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.899 0.38 . . . . 0.0 110.994 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.3 p -76.99 151.48 35.62 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.8 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.5 tp -58.66 -27.74 65.05 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.913 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.37 -40.53 81.4 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.365 179.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -55.52 -39.91 71.14 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.591 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.63 -41.09 85.15 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.008 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -60.93 -38.48 85.98 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.971 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.74 -46.65 84.19 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.195 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.3 mt -56.89 -36.49 70.19 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.558 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 28.2 mt -74.05 -31.43 30.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.493 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -71.7 -44.82 63.54 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.922 179.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -61.4 -28.46 69.26 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.46 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.433 ' CB ' ' HG ' ' A' ' 72' ' ' LEU . 43.1 m -62.93 90.51 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 120.846 0.355 . . . . 0.0 110.959 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.22 -27.58 64.59 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.197 -179.418 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -143.08 -79.13 0.05 OUTLIER Glycine 0 C--N 1.335 0.493 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.936 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.57 148.18 27.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.823 0.344 . . . . 0.0 111.276 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.433 ' HG ' ' CB ' ' A' ' 68' ' ' SER . 0.5 OUTLIER -130.39 139.82 50.62 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.694 179.917 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -126.7 132.91 51.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.854 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.6 mtp -142.67 129.45 20.47 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.856 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 22.0 t -100.77 125.54 54.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.791 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 31.3 m -113.57 179.51 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.65 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -126.05 149.28 48.99 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.277 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.8 -48.47 0.25 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.195 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.4 t70 71.54 80.55 0.15 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.994 0.426 . . . . 0.0 111.15 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -107.06 -32.27 7.92 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.519 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.59 98.51 9.64 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 120.75 0.309 . . . . 0.0 110.773 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.102 -0.951 . . . . 0.0 111.189 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 120.79 0.329 . . . . 0.0 111.327 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -134.59 137.08 43.43 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . 0.409 HG21 ' HB3' ' A' ' 38' ' ' ASN . 26.2 t -118.66 126.05 74.89 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 3.1 m -128.87 106.11 8.68 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.893 0.378 . . . . 0.0 110.939 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 82.9 mt -96.32 146.31 24.84 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.779 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 23.1 t -120.88 101.12 10.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.153 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -85.27 114.75 22.6 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.398 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.85 -71.05 0.76 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.322 -179.479 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.24 136.37 40.96 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.95 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.54 -31.53 72.31 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.017 179.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -63.66 -32.25 73.67 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.198 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -97.15 119.19 35.18 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.86 0.362 . . . . 0.0 110.771 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.74 167.74 9.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.794 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . 0.427 ' CZ ' HD12 ' A' ' 72' ' ' LEU . 69.6 m-85 -57.93 -36.89 73.13 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.197 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.02 45.54 95.07 Favored Glycine 0 C--N 1.337 0.606 0 C-N-CA 121.124 -0.56 . . . . 0.0 112.756 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 pp -120.81 128.06 52.51 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-O 120.934 0.397 . . . . 0.0 111.185 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.476 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -101.56 137.74 39.48 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.339 179.663 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -120.4 169.19 10.54 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 121.688 0.756 . . . . 0.0 111.77 179.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 23' ' ' PHE . . . -157.67 160.73 38.3 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.258 -1.337 . . . . 0.0 109.756 178.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 71.6 p -117.62 143.4 46.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.14 0.495 . . . . 0.0 111.997 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' HIS . . . . . 0.434 ' HD2' ' CE1' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -113.25 179.8 3.86 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.29 179.561 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . 0.403 HG13 ' HB ' ' B' ' 53' ' ' THR . 28.3 mm -132.63 138.11 52.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.684 0.278 . . . . 0.0 111.177 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.463 ' CE1' ' HD2' ' A' ' 21' ' ' HIS . 10.9 p90 -148.91 174.65 12.02 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.116 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.2 t -106.48 115.08 47.3 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.13 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.025 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.452 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 2.4 tptm -63.06 -41.05 99.36 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.235 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.41 ' CG ' ' HG3' ' A' ' 17' ' ' ARG . 11.0 pt-20 -179.25 172.95 1.17 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.059 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 3.0 mp -124.04 140.99 45.77 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.945 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 15.6 m -72.13 152.85 42.03 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.221 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -76.37 137.56 39.88 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.592 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.03 32.09 21.51 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.288 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.8 170.67 8.01 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.588 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 67.1 mt -55.42 -42.8 74.63 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.55 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.88 -51.9 59.44 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.383 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.52 -34.74 78.93 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.059 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 5.1 ttp85 -74.05 -41.79 61.24 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.99 -31.16 70.66 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.291 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.98 34.3 70.81 Favored Glycine 0 C--N 1.334 0.434 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.696 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -112.76 -38.39 4.58 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.769 0.285 . . . . 0.0 111.453 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 22.6 mt -93.18 135.26 28.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-O 120.709 0.29 . . . . 0.0 111.176 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -128.34 152.83 47.69 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -63.62 121.16 13.23 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.643 179.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.39 -16.94 54.68 Favored Glycine 0 CA--C 1.523 0.564 0 C-N-CA 120.726 -0.75 . . . . 0.0 113.176 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.46 122.83 10.5 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.907 0.354 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 24.2 t -83.76 107.92 15.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 21.2 t -76.54 136.19 25.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.144 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.36 -42.4 4.14 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.953 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -137.39 151.06 48.15 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.809 0.337 . . . . 0.0 111.438 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 21.3 mt -132.64 121.54 45.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.32 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 58.46 33.61 23.26 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.018 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.25 33.93 38.47 Favored Glycine 0 CA--C 1.523 0.556 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.764 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -146.06 131.9 19.08 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.782 0.291 . . . . 0.0 110.964 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 17.4 t -64.72 146.29 13.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.836 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' THR . . . . . 0.403 ' HB ' HG13 ' B' ' 22' ' ' ILE . 1.7 m -128.55 24.46 5.8 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.543 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -93.33 145.49 24.42 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.712 0.291 . . . . 0.0 110.289 179.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 2.2 m120 66.0 8.44 5.42 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 115.881 -0.599 . . . . 0.0 112.238 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.28 168.0 9.38 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.815 0.34 . . . . 0.0 111.028 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 51.5 p -74.88 146.22 42.07 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.633 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 9.2 tp -56.78 -31.4 64.6 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.684 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.32 -38.75 84.66 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.657 179.599 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -60.23 -43.32 96.15 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.8 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.46 -36.65 78.75 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.628 179.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -68.05 -32.76 73.33 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.02 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.33 -47.0 87.05 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.985 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 6.1 mt -58.81 -35.2 72.48 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.74 0.305 . . . . 0.0 110.421 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 33.1 mt -74.99 -27.72 20.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.664 179.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.83 -39.69 34.83 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.815 0.34 . . . . 0.0 110.86 179.461 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 7.9 ttp-105 -82.3 -3.94 56.25 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.073 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' SER . . . . . 0.445 ' CB ' ' HG ' ' B' ' 72' ' ' LEU . 89.3 p -55.73 113.94 1.68 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.889 0.376 . . . . 0.0 111.22 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 6.4 mtmt -85.38 65.0 8.97 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.154 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . 0.453 ' HA2' ' CG ' ' A' ' 7' ' ' LYS . . . 86.73 -65.42 3.77 Favored Glycine 0 C--N 1.335 0.504 0 C-N-CA 121.125 -0.559 . . . . 0.0 112.771 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 12.6 pttt -89.61 118.0 28.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.929 0.395 . . . . 0.0 111.712 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . 0.484 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 0.6 OUTLIER -103.05 147.09 27.4 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.002 179.611 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -125.49 129.76 50.42 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.433 179.307 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -143.48 119.82 10.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.71 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 21.7 t -104.43 118.32 51.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.11 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 9.6 m -109.04 158.35 8.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.383 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -102.36 147.41 26.73 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.157 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 1.5 ttp85 -89.48 156.96 18.31 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.998 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.74 147.0 35.33 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.757 179.657 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 73.26 -62.99 0.45 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.497 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.8 mp 70.43 130.69 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.006 0.431 . . . . 0.0 111.366 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.122 -0.942 . . . . 0.0 110.859 -179.819 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 120.888 0.375 . . . . 0.0 111.215 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -108.37 136.62 47.7 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.47 HG13 ' HB3' ' B' ' 38' ' ' ASN . 22.7 t -117.2 126.58 74.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.935 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.85 112.18 13.86 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.832 0.348 . . . . 0.0 110.942 179.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.428 ' CD2' HG12 ' A' ' 3' ' ' VAL . 3.7 mm? -102.08 155.73 18.0 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.78 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 18.1 t -125.3 98.72 5.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-O 120.765 0.317 . . . . 0.0 110.87 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.504 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -73.13 125.59 28.06 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.059 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.5 t -86.93 141.45 28.72 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.672 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.29 103.64 0.13 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.045 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.0 pttp 44.57 35.07 1.26 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.727 -179.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -116.59 -39.86 3.27 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.511 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -158.66 123.91 4.32 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.068 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.41 172.97 13.06 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.94 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.504 ' CZ ' ' HB2' ' A' ' 7' ' ' LYS . 36.3 m-85 -67.79 -44.89 76.33 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.526 -179.66 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.0 37.54 94.76 Favored Glycine 0 C--N 1.334 0.458 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.958 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.6 pp -118.83 117.03 27.77 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.968 0.413 . . . . 0.0 110.737 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.518 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -77.73 105.1 8.67 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.788 -179.775 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.86 141.79 28.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.298 -179.722 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.427 ' HB3' ' HB2' ' B' ' 25' ' ' LYS . . . -143.09 172.9 12.09 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.093 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.1 p -131.46 145.04 51.6 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.948 0.404 . . . . 0.0 111.435 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -109.94 171.66 7.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.858 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 27.9 mm -133.8 133.9 56.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.87 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.415 ' CE1' ' HD2' ' B' ' 21' ' ' HIS . 10.2 p90 -145.5 177.98 8.45 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.181 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 50.4 t -106.02 113.22 42.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.963 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.42 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 0.5 OUTLIER -55.8 -42.88 76.29 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.449 179.469 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -173.2 174.1 3.46 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.831 0.348 . . . . 0.0 111.255 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.2 mm -110.92 134.46 53.14 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.818 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.25 147.33 28.99 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.908 0.385 . . . . 0.0 111.082 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.09 148.56 41.76 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.076 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 56.7 37.77 29.04 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.922 -179.677 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.414 ' CB ' ' HA3' ' B' ' 15' ' ' GLY . 41.4 m -117.3 170.03 9.01 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.193 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.6 mt -59.4 -40.84 87.92 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.347 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.34 -38.58 77.47 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.652 0.263 . . . . 0.0 111.13 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.76 -34.99 77.9 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.254 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.83 -44.14 23.67 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.059 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -62.23 -38.85 90.8 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.464 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.26 39.68 71.1 Favored Glycine 0 C--N 1.334 0.453 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.749 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -122.93 -50.5 1.94 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.672 0.273 . . . . 0.0 110.93 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 23.3 mt -74.11 119.14 20.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.587 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -108.51 171.13 7.59 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.279 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.35 102.15 5.8 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.99 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.76 6.27 37.91 Favored Glycine 0 CA--C 1.523 0.57 0 C-N-CA 121.141 -0.552 . . . . 0.0 114.053 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -61.64 139.78 58.24 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 117.511 0.656 . . . . 0.0 110.958 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.0 t -95.07 111.52 25.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.805 -179.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.3 t -81.95 138.25 19.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-O 120.894 0.378 . . . . 0.0 111.244 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.9 mp -109.23 -41.02 4.77 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.187 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.0 mttp -142.89 161.92 36.84 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.905 0.383 . . . . 0.0 112.019 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 27.9 mt -139.81 121.57 15.86 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.757 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 20.0 p30 43.01 38.06 1.33 Allowed 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.969 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 83.95 40.3 8.82 Favored Glycine 0 C--N 1.336 0.543 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.788 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.9 m -147.53 131.68 17.36 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.693 0.247 . . . . 0.0 110.499 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.401 ' O ' ' HE1' ' A' ' 56' ' ' MET . 15.3 t -63.39 139.33 21.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 120.618 0.247 . . . . 0.0 110.964 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.19 40.68 2.45 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.084 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -121.01 143.28 49.13 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 178.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 69.25 6.42 5.66 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.464 -178.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.401 ' HE1' ' O ' ' A' ' 52' ' ' VAL . 2.2 ttm -93.19 146.75 23.45 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.712 0.292 . . . . 0.0 110.85 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.0 t -69.93 146.95 50.81 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.8 179.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 60.3 tp -55.98 -32.19 63.7 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.825 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.441 ' O ' ' HG2' ' A' ' 62' ' ' LYS . 0.3 OUTLIER -73.01 -46.3 52.89 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.655 179.696 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -55.49 -35.56 65.7 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 120.709 0.29 . . . . 0.0 110.469 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.91 -35.27 80.62 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.693 179.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' A' ' 59' ' ' THR . 1.1 ptmt -64.13 -35.11 79.71 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.397 179.145 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.84 -41.93 91.13 Favored 'General case' 0 C--O 1.23 0.064 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.02 179.519 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.04 -35.65 64.7 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.601 179.58 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 36.7 mt -69.24 -31.51 50.11 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 179.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -77.17 -38.89 50.76 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.794 0.33 . . . . 0.0 110.632 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -61.99 -27.87 69.17 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.592 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 80.3 p -54.24 109.42 0.48 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 121.014 0.435 . . . . 0.0 111.215 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -61.48 -37.74 84.74 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.28 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -162.02 -67.99 0.02 OUTLIER Glycine 0 C--N 1.335 0.482 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.457 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -81.56 133.02 35.33 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.848 0.356 . . . . 0.0 110.785 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -118.24 117.73 29.92 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.956 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -103.82 130.33 51.36 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.609 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 40.1 mtm -142.81 129.03 19.85 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.614 -0.267 . . . . 0.0 110.99 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.8 t -99.05 126.4 52.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.715 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.3 m -113.97 168.34 6.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.928 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.64 159.11 15.36 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.005 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 71.15 146.2 0.07 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.396 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -115.49 110.36 19.17 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.858 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -127.24 83.6 2.18 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.586 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.424 ' O ' ' HB2' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -150.76 167.63 26.85 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.206 -179.685 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' ' 81' ' ' LEU . 36.6 mt-10 . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.156 -0.926 . . . . 0.0 111.533 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 79.3 p . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 120.884 0.373 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.97 125.82 47.18 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.429 -179.578 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 23.5 t -103.92 111.14 32.43 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.608 179.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 36.7 m -113.17 105.78 13.86 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.798 0.332 . . . . 0.0 110.655 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 26.6 mt -105.22 159.18 16.07 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.875 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 19.7 t -133.19 101.71 4.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.674 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.513 ' HB2' ' CE1' ' B' ' 14' ' ' TYR . 0.0 OUTLIER -82.86 100.43 10.34 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.463 -179.661 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.74 34.17 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.415 179.523 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 175.47 -177.64 0.11 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.776 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 69.37 -74.27 0.08 Allowed 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.211 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 18.1 m-20 -158.88 28.28 0.22 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.854 -0.157 . . . . 0.0 111.196 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 41.37 35.61 0.44 Allowed 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.039 0.447 . . . . 0.0 111.39 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -142.48 135.68 28.64 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.755 -179.527 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . 0.513 ' CE1' ' HB2' ' B' ' 7' ' ' LYS . 82.5 m-85 -72.11 -28.2 63.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.237 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . 0.414 ' HA3' ' CB ' ' A' ' 31' ' ' SER . . . 61.3 45.7 95.94 Favored Glycine 0 C--N 1.336 0.548 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.904 179.572 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 pp -120.87 114.01 20.96 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.0 0.428 . . . . 0.0 110.687 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.42 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -71.55 109.34 5.43 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.249 179.832 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -93.54 137.95 32.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.048 0.451 . . . . 0.0 111.79 -179.133 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.405 ' CB ' ' CZ ' ' A' ' 23' ' ' PHE . . . -136.08 176.18 8.93 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.742 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 87.6 p -137.64 148.94 46.19 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.011 0.434 . . . . 0.0 111.934 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' HIS . . . . . 0.415 ' HD2' ' CE1' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -122.74 177.91 5.25 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.815 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . 0.424 HG13 ' HB ' ' B' ' 53' ' ' THR . 22.7 mm -131.81 137.9 53.97 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-O 120.76 0.314 . . . . 0.0 111.244 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.402 ' CZ ' ' CB ' ' A' ' 19' ' ' ALA . 12.7 p90 -149.28 -178.14 6.23 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.39 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 15.2 t -107.83 113.14 42.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.747 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.518 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 12.5 tptt -60.98 -40.73 94.57 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.385 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.413 ' HA ' ' HG2' ' B' ' 41' ' ' GLU . 0.4 OUTLIER -173.1 174.67 3.38 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.757 0.313 . . . . 0.0 111.353 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . 0.44 HG21 HD13 ' B' ' 27' ' ' ILE . 7.9 mm -123.58 132.97 70.47 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.63 179.581 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 3.6 m -81.61 136.84 35.54 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.759 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -67.15 146.41 54.27 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.967 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 57.55 48.32 14.56 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 121.03 0.443 . . . . 0.0 110.688 -179.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 24.2 m -126.52 174.82 8.36 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.959 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.423 ' CD1' ' HA ' ' A' ' 7' ' ' LYS . 17.1 mt -60.81 -36.52 79.25 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.385 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.75 -36.25 80.2 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 120.517 0.199 . . . . 0.0 111.165 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.87 -51.1 52.02 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.133 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.18 -38.77 88.85 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.955 179.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -62.83 -37.08 85.37 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.077 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.69 40.5 85.53 Favored Glycine 0 C--N 1.334 0.459 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.77 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.47 ' HB3' HG13 ' A' ' 3' ' ' VAL . 4.8 m-80 -127.85 -49.26 1.36 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.665 0.232 . . . . 0.0 111.159 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . 0.409 HG22 HD13 ' B' ' 39' ' ' ILE . 38.6 mm -79.77 119.61 29.51 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.053 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -121.74 169.53 10.64 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.987 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . 0.413 ' HG2' ' HA ' ' B' ' 26' ' ' GLU . 10.1 mt-10 -75.41 119.43 19.49 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.778 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.89 -13.93 52.86 Favored Glycine 0 CA--C 1.523 0.568 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.949 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.33 130.45 39.06 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.803 0.302 . . . . 0.0 111.173 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 22.1 t -96.93 97.79 6.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.719 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 30.0 t -80.12 111.3 16.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.163 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.4 -38.79 34.02 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.487 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -130.87 148.51 52.65 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.733 0.302 . . . . 0.0 111.382 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.421 HG21 HD12 ' B' ' 48' ' ' ILE . 36.1 mt -136.18 121.13 26.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.599 179.539 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 59.64 37.01 22.63 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.276 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.77 27.47 66.99 Favored Glycine 0 C--N 1.336 0.575 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.732 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.13 125.42 14.68 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.503 0.192 . . . . 0.0 110.553 -179.527 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 20.6 t -73.37 134.02 30.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.475 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' THR . . . . . 0.424 ' HB ' HG13 ' B' ' 22' ' ' ILE . 0.8 OUTLIER -110.38 34.73 3.76 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.943 179.836 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -88.42 143.42 27.0 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.024 179.065 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 6.0 m120 62.22 16.56 8.5 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.743 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -108.95 169.73 8.49 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.751 0.31 . . . . 0.0 111.129 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.3 t -74.27 142.68 45.25 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.583 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 44.6 tp -58.31 -33.09 69.09 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.711 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' THR . . . . . 0.448 ' O ' ' HG2' ' B' ' 62' ' ' LYS . 0.2 OUTLIER -63.55 -41.6 98.42 Favored 'General case' 0 N--CA 1.46 0.045 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.761 179.63 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -55.75 -36.92 67.82 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 120.64 0.257 . . . . 0.0 110.482 179.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.39 -35.15 80.07 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.805 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' B' ' 59' ' ' THR . 1.1 pttp -64.72 -34.89 79.39 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.389 179.179 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.07 -40.97 97.43 Favored 'General case' 0 N--CA 1.46 0.049 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.042 179.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 6.7 mt -55.23 -39.67 69.97 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.514 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 12.7 mt -69.23 -32.49 53.95 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.858 179.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -76.36 -41.03 49.48 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.753 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 4.5 ttt85 -60.22 -31.04 69.8 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.363 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 12.0 t -54.15 107.54 0.28 Allowed 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.872 0.368 . . . . 0.0 111.287 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.58 -33.03 66.46 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.894 179.728 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -143.76 -85.06 0.07 OUTLIER Glycine 0 C--N 1.337 0.628 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.673 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.82 152.39 22.14 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.918 0.389 . . . . 0.0 111.482 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . 0.431 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 0.4 OUTLIER -125.02 151.16 45.94 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.011 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -121.61 139.13 53.93 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.628 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 8.6 mtm -147.94 123.73 10.57 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.782 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 21.9 t -101.99 117.91 48.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.754 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 31.4 m -100.48 150.25 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.442 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -110.9 142.84 42.43 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.143 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 63.9 mtt180 -128.51 112.72 14.63 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.129 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -141.38 145.42 35.34 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.773 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 59.95 62.69 1.6 Allowed 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.876 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -141.36 71.84 1.37 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.892 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.183 0 CA-C-O 118.494 -0.765 . . . . 0.0 110.836 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 28.5 p . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 120.809 0.337 . . . . 0.0 111.271 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.9 mtpp -129.05 133.76 47.84 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.9 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.42 ' CG1' ' HB2' ' B' ' 38' ' ' ASN . 39.6 t -103.4 125.93 57.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.4 m -128.89 105.88 8.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.679 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 67.2 mt -102.48 155.32 18.34 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.034 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.3 t -124.97 99.56 6.27 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 CA-C-O 120.889 0.376 . . . . 0.0 111.172 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.442 ' HB2' ' CE1' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -81.25 127.99 33.3 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.075 179.86 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.9 m -117.82 116.97 28.06 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.913 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.42 -179.25 0.17 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.04 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -100.43 29.13 4.56 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.101 179.575 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -102.38 -35.89 8.64 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.161 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -120.29 104.97 10.48 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.91 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.07 168.62 13.12 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.772 179.614 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.442 ' CE1' ' HB2' ' A' ' 7' ' ' LYS . 48.8 m-85 -61.36 -27.7 68.7 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.077 179.631 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.52 33.45 59.0 Favored Glycine 0 C--N 1.337 0.62 0 C-N-CA 121.29 -0.481 . . . . 0.0 113.283 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 pp -107.58 115.58 30.4 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.945 0.402 . . . . 0.0 110.478 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.479 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.1 OUTLIER -72.32 108.37 5.42 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.552 -179.879 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -96.69 127.42 42.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -135.04 165.62 24.93 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.968 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.403 ' OG ' ' HA ' ' A' ' 55' ' ' ASN . 56.6 p -119.31 152.67 36.34 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.87 0.366 . . . . 0.0 111.156 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.437 ' HD2' ' CE1' ' B' ' 23' ' ' PHE . 0.1 OUTLIER -117.87 177.56 4.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.783 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 28.5 mm -132.85 126.83 54.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.881 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.455 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 21.6 p90 -129.79 174.67 9.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 25.3 t -98.21 111.89 29.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.09 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.488 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 8.5 tptt -67.65 -36.89 81.58 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.359 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -174.02 176.57 2.54 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.838 0.352 . . . . 0.0 111.229 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.6 mp -141.02 136.54 33.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.741 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.8 m -68.47 152.31 45.57 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.844 0.354 . . . . 0.0 111.251 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -79.02 144.06 35.05 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.927 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 57.13 32.13 21.18 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.23 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.1 p -99.75 -178.3 3.83 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.839 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.4 mt -59.96 -35.18 74.43 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.071 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.17 -38.77 75.48 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.087 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.06 -42.78 95.24 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.765 0.317 . . . . 0.0 111.033 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -35.36 69.02 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.72 179.401 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -73.36 -38.16 65.81 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.431 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.9 34.93 91.23 Favored Glycine 0 C--N 1.335 0.501 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.506 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.407 ' CB ' HG13 ' B' ' 3' ' ' VAL . 5.6 m-80 -112.33 -27.22 8.39 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.0 mt -107.59 132.73 54.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 120.646 0.26 . . . . 0.0 111.283 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -134.42 159.95 39.5 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -60.48 120.11 9.32 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.788 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.31 -16.76 44.88 Favored Glycine 0 CA--C 1.523 0.558 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.859 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.22 144.57 19.7 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 120.747 0.308 . . . . 0.0 111.347 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.5 t -108.45 122.4 62.91 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.023 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.9 t -93.1 130.65 41.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.399 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.04 -45.24 5.73 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.708 179.467 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.9 mtpt -137.58 153.42 49.94 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.392 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 30.4 mt -136.9 120.78 22.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.619 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 57.69 35.38 25.55 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.212 -179.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.92 31.18 54.31 Favored Glycine 0 CA--C 1.522 0.493 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.901 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.61 131.65 20.43 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.679 0.239 . . . . 0.0 110.706 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.4 t -67.42 143.91 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.687 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.27 31.46 6.67 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.454 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.76 148.71 23.81 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 120.717 0.294 . . . . 0.0 110.32 179.19 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.403 ' HA ' ' OG ' ' A' ' 20' ' ' SER . 6.6 p30 53.19 17.24 0.94 Allowed 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.67 -0.696 . . . . 0.0 112.145 -179.334 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.1 ttm -95.03 142.88 26.99 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.652 0.263 . . . . 0.0 110.595 179.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.37 143.85 48.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.829 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.1 tp -53.13 -33.23 51.46 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.021 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.18 -40.8 64.52 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.757 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -55.43 -41.92 73.46 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.243 179.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.53 -36.63 78.89 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.555 179.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 63' ' ' THR . 0.0 OUTLIER -62.41 -32.94 73.86 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.658 179.312 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.429 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 0.2 OUTLIER -63.06 -41.84 99.55 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.97 179.58 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.84 -34.55 67.87 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.853 0.359 . . . . 0.0 110.224 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 16.9 mm -71.13 -31.91 46.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.691 179.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.68 -46.01 27.39 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.056 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -57.19 -32.82 66.85 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.977 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.423 ' CB ' ' HG ' ' A' ' 72' ' ' LEU . 75.2 m -70.58 97.09 1.27 Allowed 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.872 0.368 . . . . 0.0 110.752 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.76 38.85 1.39 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.035 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 172.6 -102.62 0.18 Allowed Glycine 0 C--N 1.334 0.431 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.558 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -84.24 130.5 34.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.81 0.338 . . . . 0.0 111.056 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.433 HD11 ' CZ ' ' B' ' 14' ' ' TYR . 0.4 OUTLIER -117.48 132.44 56.55 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.035 -179.889 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.0 mtmt -114.65 130.83 56.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.667 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 18.3 mtm -140.53 123.51 16.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.688 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.8 t -98.26 118.13 44.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.031 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 6.5 m -108.49 167.06 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.471 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -105.61 115.45 30.27 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.54 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 63.08 87.76 0.1 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.969 -0.559 . . . . 0.0 112.368 179.046 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -168.46 44.33 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.466 179.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -151.23 95.37 2.16 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.873 179.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -138.01 -170.87 2.88 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.198 -0.906 . . . . 0.0 111.034 179.885 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 7.8 m . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 120.587 0.232 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 7.7 mttm -133.14 128.26 35.68 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.178 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . 0.407 HG13 ' CB ' ' A' ' 38' ' ' ASN . 43.8 t -104.16 126.97 58.77 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.818 179.732 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 1.5 m -128.94 105.65 8.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.779 0.323 . . . . 0.0 110.805 179.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 68.1 mt -100.17 152.13 20.62 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.745 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 25.6 t -127.24 101.52 7.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 120.861 0.363 . . . . 0.0 111.153 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.414 ' HB2' ' CE1' ' B' ' 14' ' ' TYR . 0.9 OUTLIER -90.37 121.84 32.71 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.736 179.693 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.09 164.82 12.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.927 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 8.2 ptt180 -57.09 -46.53 82.49 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.883 -179.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -122.22 49.81 1.54 Allowed 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 120.853 0.359 . . . . 0.0 111.18 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -133.57 32.44 3.6 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.224 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 64.35 167.14 0.16 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.941 0.401 . . . . 0.0 111.217 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -92.93 -179.03 5.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.976 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . 0.433 ' CZ ' HD11 ' A' ' 72' ' ' LEU . 15.0 m-85 -66.8 -38.84 87.28 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.207 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.42 49.22 61.36 Favored Glycine 0 C--N 1.337 0.63 0 C-N-CA 121.131 -0.556 . . . . 0.0 112.429 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -106.75 142.1 36.93 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.919 0.39 . . . . 0.0 111.535 -179.226 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.488 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -103.94 122.12 44.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.974 179.02 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 2.5 mp -124.71 153.42 42.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.081 0.467 . . . . 0.0 111.914 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.455 ' HB3' ' CZ ' ' A' ' 23' ' ' PHE . . . -143.1 -177.18 5.23 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.821 179.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.434 ' O ' ' HG2' ' B' ' 54' ' ' GLU . 53.5 p -132.05 149.96 52.28 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.954 0.407 . . . . 0.0 112.03 -179.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' HIS . . . . . 0.439 ' HD2' ' CE1' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -123.29 -179.34 4.27 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.447 179.57 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . 0.422 HG13 HG23 ' B' ' 53' ' ' THR . 40.5 mm -129.5 138.03 55.33 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-O 120.775 0.321 . . . . 0.0 111.173 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.437 ' CE1' ' HD2' ' A' ' 21' ' ' HIS . 6.3 p90 -146.79 178.81 8.03 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.039 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 19.6 t -108.0 110.96 33.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.038 179.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.479 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 10.2 tptm -56.08 -45.47 79.34 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.048 179.627 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -176.46 170.97 2.44 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.099 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 2.1 mt -117.97 131.99 69.09 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.169 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 60.1 m -78.82 150.3 32.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.149 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -74.74 152.11 39.1 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.975 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 57.7 33.15 22.88 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.097 -179.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 1.7 m -110.77 171.84 7.22 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.961 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 18.5 mt -61.4 -40.32 93.94 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.221 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . 0.405 ' HB3' HD12 ' B' ' 39' ' ' ILE . . . -64.94 -47.57 77.2 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.057 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.92 -38.25 87.7 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.996 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 55.4 mtp85 -71.1 -41.33 70.74 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.82 -32.73 69.88 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.682 -0.235 . . . . 0.0 111.28 179.732 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.25 39.26 94.35 Favored Glycine 0 C--N 1.333 0.392 0 C-N-CA 120.911 -0.661 . . . . 0.0 113.036 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.42 ' HB2' ' CG1' ' A' ' 3' ' ' VAL . 19.7 m120 -111.75 -48.49 3.06 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.813 0.306 . . . . 0.0 111.024 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . 0.405 HD12 ' HB3' ' B' ' 33' ' ' ALA . 24.0 mt -74.84 144.85 11.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.367 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -132.46 146.49 51.97 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.804 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -61.53 117.21 5.43 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.609 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.83 -13.84 49.67 Favored Glycine 0 CA--C 1.523 0.588 0 C-N-CA 120.849 -0.691 . . . . 0.0 113.014 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -56.01 135.36 52.6 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.958 0.379 . . . . 0.0 111.042 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.1 t -98.91 100.43 10.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.605 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 21.8 t -68.23 120.48 15.72 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.202 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.77 -47.72 9.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.884 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -137.65 150.46 47.4 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.408 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 19.4 mt -126.71 120.87 57.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.381 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 58.55 31.55 21.16 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.17 -179.595 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.32 35.02 27.66 Favored Glycine 0 C--N 1.336 0.544 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.92 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.18 133.72 19.79 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.809 0.305 . . . . 0.0 110.839 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 20.7 t -68.77 144.22 14.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.636 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' THR . . . . . 0.422 HG23 HG13 ' B' ' 22' ' ' ILE . 0.2 OUTLIER -121.75 21.58 10.72 Favored 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -179.658 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' B' ' 20' ' ' SER . 7.7 tm-20 -88.25 151.81 22.39 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 120.744 0.307 . . . . 0.0 110.21 179.096 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 3.0 p30 58.96 8.32 0.96 Allowed 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.549 -0.751 . . . . 0.0 112.676 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 1.9 ttm -97.94 160.62 14.19 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.728 0.299 . . . . 0.0 110.738 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 18.4 m -67.46 145.68 54.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.624 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 27.2 tp -55.27 -32.57 62.48 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.592 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.71 -37.91 89.2 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.735 179.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.63 -44.75 85.79 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-O 120.769 0.319 . . . . 0.0 110.638 179.549 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.61 -38.14 74.43 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.644 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.05 -36.61 82.42 Favored 'General case' 0 N--CA 1.462 0.125 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.488 179.154 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.93 -44.1 94.54 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.0 -37.65 69.43 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.397 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 24.8 mt -77.13 -30.24 17.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.768 179.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -75.24 -44.67 44.84 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.768 0.318 . . . . 0.0 110.799 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -58.54 -30.59 67.22 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.153 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 3.5 m -53.46 113.83 1.3 Allowed 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.275 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? -96.9 34.08 1.78 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.772 179.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 148.0 -89.88 0.15 Allowed Glycine 0 C--N 1.336 0.537 0 C-N-CA 121.106 -0.568 . . . . 0.0 112.389 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 pttp -75.88 138.53 41.13 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.02 0.438 . . . . 0.0 111.39 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . 0.431 ' HB2' ' CE1' ' A' ' 14' ' ' TYR . 0.6 OUTLIER -125.04 146.67 49.33 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.798 179.682 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.7 131.68 51.32 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.107 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 13.1 mtp -140.49 122.88 15.98 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.767 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 21.8 t -98.46 119.67 46.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.097 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 13.2 m -110.6 174.47 1.95 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.255 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.28 125.3 40.64 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -103.3 49.67 0.82 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.165 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 1.6 t70 62.05 88.08 0.09 Allowed 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.258 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.75 154.66 17.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.331 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -99.53 44.64 1.01 Allowed 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.781 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.128 -0.939 . . . . 0.0 111.229 179.839 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 17.3 p . . . . . 0 N--CA 1.493 1.701 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -126.58 133.61 51.03 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.573 0.225 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.1 t -103.43 125.76 57.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.792 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 m -127.65 106.0 8.85 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.75 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 51.9 mt -104.16 159.87 15.33 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.876 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.9 t -136.49 106.49 5.28 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.006 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.51 ' CG ' ' HA2' ' B' ' 70' ' ' GLY . 4.9 ptpt -83.95 22.99 1.07 Allowed 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.42 -33.93 4.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.305 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.4 -67.41 0.4 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.146 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -98.15 148.8 23.19 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.25 179.477 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -72.59 71.44 0.97 Allowed 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 120.933 0.397 . . . . 0.0 110.897 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -160.8 164.76 31.21 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.016 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -104.07 177.8 4.74 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.565 179.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.465 ' CE2' ' HE2' ' A' ' 7' ' ' LYS . 15.8 m-85 -66.62 -46.55 75.47 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.205 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.52 52.35 48.54 Favored Glycine 0 C--N 1.337 0.587 0 C-N-CA 121.139 -0.553 . . . . 0.0 112.803 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 pp -121.17 124.6 45.11 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.935 0.397 . . . . 0.0 110.959 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.1 mtt180 -73.6 118.63 16.78 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.665 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.19 129.1 54.9 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.24 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -132.49 -179.72 5.62 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.827 179.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 62.5 p -135.81 155.89 49.64 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.177 0.513 . . . . 0.0 111.77 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -125.19 175.09 7.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.481 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 30.7 mm -134.63 132.36 54.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.151 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.404 ' CZ ' ' CB ' ' B' ' 19' ' ' ALA . 8.0 p90 -140.73 177.13 8.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.005 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.7 t -102.13 114.01 40.28 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-O 120.965 0.412 . . . . 0.0 111.322 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.492 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 36.4 tptt -59.83 -44.6 93.96 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.527 179.511 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 179.6 -179.63 0.44 Allowed 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.867 0.365 . . . . 0.0 110.967 -179.566 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.4 mp -120.1 133.25 67.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.589 179.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.3 m -75.03 156.61 36.0 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.285 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -82.76 144.75 29.96 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.117 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 56.53 35.86 26.67 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.11 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.7 m -115.33 171.16 7.87 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.592 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.487 ' HB2' ' HA ' ' B' ' 14' ' ' TYR . 27.9 mt -57.84 -43.69 85.99 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.09 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.88 -45.16 87.16 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.477 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.57 -36.44 82.66 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.077 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -75.71 -46.81 29.05 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.808 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.417 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 1.3 t0 -60.34 -37.63 81.27 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.706 0.288 . . . . 0.0 111.044 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.66 33.95 87.56 Favored Glycine 0 C--N 1.335 0.511 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.384 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.407 ' HB3' HG12 ' B' ' 3' ' ' VAL . 1.5 m-80 -106.01 -31.65 8.65 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.526 0.203 . . . . 0.0 111.525 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 21.7 mt -96.57 146.07 7.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.013 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -129.83 155.07 46.58 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.055 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.73 129.72 34.99 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.722 0.296 . . . . 0.0 110.938 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.64 -14.68 53.5 Favored Glycine 0 CA--C 1.522 0.506 0 C-N-CA 120.814 -0.708 . . . . 0.0 113.747 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.418 ' HB2' HG13 ' A' ' 76' ' ' VAL . 51.8 p-10 -74.85 157.64 34.76 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 117.646 0.723 . . . . 0.0 110.975 179.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 25.7 t -111.37 117.12 54.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.344 -178.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.4 t -82.76 135.59 24.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.353 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.4 tt -102.99 -38.38 7.37 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.37 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.9 mttm -135.79 151.94 50.59 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -179.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 52.4 mt -139.13 126.83 26.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.639 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 20.1 p30 45.69 33.35 1.44 Allowed 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.215 0.606 . . . . 0.0 111.783 -179.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 83.24 38.67 10.75 Favored Glycine 0 C--N 1.337 0.615 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.829 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.32 137.88 20.96 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.688 0.244 . . . . 0.0 110.521 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 38.5 t -64.37 149.09 11.32 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.769 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.47 56.52 1.83 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.355 0.597 . . . . 0.0 111.0 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -135.47 140.32 44.75 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.432 -0.803 . . . . 0.0 109.67 178.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 67.72 8.01 6.09 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.921 -179.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -93.8 169.43 10.31 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.736 0.303 . . . . 0.0 110.791 179.272 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.9 t -84.15 148.08 26.97 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.668 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 19.4 tp -56.69 -30.78 63.8 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.653 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.2 -37.96 81.45 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.414 179.312 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -59.92 -39.32 85.05 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.629 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.1 -39.29 78.24 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.794 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.7 mmmt -62.22 -36.68 82.68 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.381 179.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.98 -39.02 92.85 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.973 179.551 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 67' ' ' ARG . 28.7 mt -55.7 -34.34 65.0 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.718 179.591 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 16.2 mt -76.14 -30.94 20.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.923 179.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -74.25 -54.92 6.7 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.948 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.405 ' HD3' ' HA ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -59.78 -26.2 65.52 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.511 179.839 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 m -56.86 115.55 2.65 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.842 0.353 . . . . 0.0 111.141 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.16 105.74 17.73 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.271 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 81.14 -113.34 3.62 Favored Glycine 0 C--N 1.336 0.536 0 C-N-CA 121.218 -0.515 . . . . 0.0 113.204 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.6 153.35 43.57 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.745 0.307 . . . . 0.0 111.216 -179.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -130.17 131.05 45.46 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.152 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.85 135.89 48.49 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.946 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 2.0 mtm -136.37 121.36 18.83 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.525 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.6 t -99.04 131.69 45.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.056 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.418 HG13 ' HB2' ' A' ' 43' ' ' ASP . 21.6 t -103.28 156.75 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.837 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -93.39 145.09 24.73 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 120.886 0.374 . . . . 0.0 111.499 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -141.82 31.83 1.62 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.95 179.184 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -90.55 -175.41 4.43 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.928 179.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 60.76 34.51 19.84 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.868 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.74 131.29 53.72 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.43 -179.538 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 . . . . . 0 C--O 1.251 1.181 0 O-C-N 123.563 0.54 . . . . 0.0 111.563 -179.562 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 120.716 0.293 . . . . 0.0 111.198 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -124.11 142.79 50.91 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.037 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . 0.407 HG12 ' HB3' ' A' ' 38' ' ' ASN . 24.1 t -127.68 128.57 69.64 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.964 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 6.6 m -129.0 107.36 9.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.151 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -100.45 160.17 14.55 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.793 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 21.9 t -124.94 100.14 6.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.938 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.529 ' HB2' ' CZ ' ' B' ' 14' ' ' TYR . 0.0 OUTLIER -77.36 117.8 19.2 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.324 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 4.0 p -175.64 167.58 3.19 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.694 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.97 97.48 1.15 Allowed 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.921 0.391 . . . . 0.0 110.723 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.52 -50.18 0.21 Allowed 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.184 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -140.33 -52.66 0.5 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.605 0.241 . . . . 0.0 111.163 179.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -176.04 -175.82 0.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.696 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -68.87 -173.58 0.49 Allowed 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.571 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . 0.529 ' CZ ' ' HB2' ' B' ' 7' ' ' LYS . 48.9 m-85 -54.94 -47.85 73.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.087 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.38 45.68 95.43 Favored Glycine 0 C--N 1.336 0.54 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.422 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 pp -115.21 111.66 21.3 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.988 0.423 . . . . 0.0 110.902 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.492 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -74.59 114.56 13.15 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.049 179.666 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -109.42 164.74 12.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.917 0.389 . . . . 0.0 111.321 -179.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.404 ' CB ' ' CZ ' ' A' ' 23' ' ' PHE . . . -157.3 177.75 11.1 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.214 -179.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 93.3 p -133.09 152.42 51.95 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.96 0.409 . . . . 0.0 111.162 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -123.72 163.64 20.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.1 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 mp -122.75 134.29 66.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.407 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -143.48 178.03 8.05 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.358 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 23.1 t -107.66 110.39 31.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.91 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -59.97 -41.36 91.81 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.296 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -172.66 175.22 3.5 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.952 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 3.3 mp -130.31 144.82 36.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 69.2 m -85.82 139.89 30.9 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 5.5 pm0 -74.13 158.23 34.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.527 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 56.68 34.98 25.46 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.248 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 1.6 m -120.61 178.33 4.72 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.728 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.405 HD12 ' CD1' ' A' ' 14' ' ' TYR . 42.9 mt -59.79 -39.65 85.64 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.299 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.06 -45.81 91.91 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.152 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.12 -37.71 83.76 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.059 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -74.07 -43.78 56.49 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.691 179.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -64.65 -37.04 86.2 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.101 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.6 37.63 93.81 Favored Glycine 0 C--N 1.336 0.569 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.573 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -114.35 -40.5 3.63 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 -179.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 8.1 mt -86.53 132.92 31.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-O 120.754 0.312 . . . . 0.0 111.245 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -129.7 149.21 51.55 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.68 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 53.6 tt0 -55.81 116.23 2.83 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.636 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.56 -2.35 46.0 Favored Glycine 0 CA--C 1.525 0.664 0 C-N-CA 120.863 -0.684 . . . . 0.0 113.171 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -58.36 142.55 47.91 Favored 'General case' 0 C--N 1.341 0.22 0 CA-C-N 117.034 0.417 . . . . 0.0 110.947 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 22.6 t -106.42 98.46 6.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.81 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 23.7 t -80.29 101.4 5.33 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.148 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.74 -31.07 46.12 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.642 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -139.39 156.44 46.99 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 120.812 0.339 . . . . 0.0 111.232 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 34.8 mt -142.14 121.73 10.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.593 179.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 60.35 34.01 20.75 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.33 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.33 25.15 64.16 Favored Glycine 0 C--N 1.335 0.519 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.673 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 4.8 m -131.8 139.4 48.88 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.657 0.265 . . . . 0.0 110.42 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 34.5 t -69.35 134.83 29.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.852 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -121.07 46.39 2.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.618 179.566 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -118.54 143.14 46.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.016 179.117 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 69.42 6.28 5.61 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.58 -179.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -94.61 159.32 15.13 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.75 0.31 . . . . 0.0 110.893 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 2.8 m -65.67 151.49 46.42 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.814 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 47.9 tp -55.6 -31.15 62.0 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.405 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.28 -38.5 71.84 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.797 179.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.58 -41.64 70.12 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-O 120.753 0.311 . . . . 0.0 110.245 179.323 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.83 -37.64 87.6 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.259 178.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' B' ' 63' ' ' THR . 0.0 OUTLIER -65.33 -31.98 73.39 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.742 179.258 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' THR . . . . . 0.45 ' N ' ' HG3' ' B' ' 62' ' ' LYS . 0.9 OUTLIER -66.58 -44.06 83.22 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.035 179.882 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.35 -37.47 67.53 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.8 0.333 . . . . 0.0 110.288 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 40.3 mt -70.67 -31.38 45.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.608 178.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -76.56 -41.65 45.71 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.751 179.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 -59.34 -27.2 65.7 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.477 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 16.8 t -52.95 114.7 1.52 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 120.732 0.301 . . . . 0.0 111.229 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -94.87 34.97 1.29 Allowed 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.356 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . 0.51 ' HA2' ' CG ' ' A' ' 7' ' ' LYS . . . 132.83 -65.51 0.59 Allowed Glycine 0 C--N 1.336 0.535 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.528 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -91.88 114.15 26.62 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.685 0.279 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . 0.437 ' HB2' ' CE1' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -97.79 137.68 36.3 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.044 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -124.14 122.15 37.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.695 179.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 14.6 mtp -133.65 118.16 17.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.637 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 36.8 t -98.01 127.99 49.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.753 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 33.5 m -115.13 173.59 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.519 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -111.74 106.96 15.89 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.015 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -120.63 -66.18 1.08 Allowed 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.658 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -89.69 122.02 32.41 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.518 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -60.82 -67.27 0.42 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.327 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 6.9 tt -165.11 -52.68 0.03 OUTLIER 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.93 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.19 -0.91 . . . . 0.0 111.109 179.712 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 7.4 m . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 120.639 0.257 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -96.49 141.38 29.85 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.858 0.361 . . . . 0.0 111.112 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 20.2 t -119.76 133.45 66.51 Favored 'Isoleucine or valine' 0 C--O 1.231 0.13 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.006 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.87 114.43 16.5 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.929 179.721 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 26.0 mt -111.99 159.08 18.77 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.099 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 20.9 t -134.22 104.78 6.08 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.959 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.433 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 23.9 ttmt -71.49 143.17 50.09 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.142 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.7 m -87.46 163.05 16.93 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.154 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -68.51 95.52 0.63 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.7 pttp 44.12 34.66 1.02 Allowed 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.721 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -108.68 -37.48 5.89 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.411 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -162.08 161.72 28.4 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.804 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -117.57 -179.88 3.86 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.728 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.433 ' CZ ' ' HB2' ' A' ' 7' ' ' LYS . 19.7 m-85 -74.34 -33.8 63.24 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.375 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.01 28.24 63.43 Favored Glycine 0 C--N 1.336 0.544 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.628 -179.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 pp -95.22 138.82 32.41 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.852 0.358 . . . . 0.0 111.112 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.562 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -114.04 135.97 53.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.657 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 mt -120.45 169.05 10.69 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-O 121.532 0.682 . . . . 0.0 111.415 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.444 ' CB ' ' CZ ' ' B' ' 23' ' ' PHE . . . -156.31 171.64 19.87 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.418 -1.264 . . . . 0.0 110.013 178.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 64.3 p -128.66 146.53 50.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.16 0.505 . . . . 0.0 112.165 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.489 ' HD2' ' CE1' ' B' ' 23' ' ' PHE . 0.2 OUTLIER -115.03 178.43 4.28 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.162 179.299 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.414 HG13 ' HB ' ' A' ' 53' ' ' THR . 33.6 mm -130.04 131.68 65.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.7 0.286 . . . . 0.0 111.22 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.459 ' CE1' ' HD2' ' B' ' 21' ' ' HIS . 15.4 p90 -142.08 177.02 8.51 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.412 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.2 t -106.11 112.61 40.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.959 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.419 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 9.1 tttp -64.49 -38.13 89.93 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.41 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -177.35 174.76 1.56 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.75 0.309 . . . . 0.0 110.928 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.1 mp -131.09 139.44 51.02 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.201 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.8 t -83.85 154.06 23.68 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.305 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -84.9 156.11 21.39 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.079 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 57.79 31.76 20.93 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.284 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.4 m -119.04 173.94 6.6 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.787 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 34.4 mt -57.78 -44.49 86.28 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.06 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.25 -45.91 91.61 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.08 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.06 -37.15 83.54 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.268 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.62 -49.04 43.86 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.214 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.5 -32.47 74.12 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.572 0.225 . . . . 0.0 111.224 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.67 35.91 92.65 Favored Glycine 0 C--N 1.336 0.538 0 C-N-CA 121.013 -0.613 . . . . 0.0 113.111 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -107.86 -33.35 7.26 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.783 0.291 . . . . 0.0 111.511 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 18.6 mt -90.82 140.42 16.0 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 CA-C-O 120.71 0.291 . . . . 0.0 111.346 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -135.38 150.03 49.82 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.978 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -62.84 127.59 31.98 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.796 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 98.94 -17.63 57.94 Favored Glycine 0 CA--C 1.522 0.518 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.711 -179.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -55.9 139.43 46.04 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.769 0.319 . . . . 0.0 110.923 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 20.8 t -100.94 98.56 7.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.997 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 29.0 t -75.89 89.26 0.78 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.049 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.3 tt -68.51 -44.16 75.25 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.315 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.58 154.28 38.15 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 120.802 0.334 . . . . 0.0 111.235 -179.485 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 34.8 mt -141.0 114.21 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.596 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 58.97 35.58 24.15 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.384 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.7 32.49 45.77 Favored Glycine 0 C--N 1.335 0.495 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.638 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.38 120.06 9.2 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.604 0.24 . . . . 0.0 110.638 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 31.6 t -66.79 133.97 30.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.724 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.414 ' HB ' HG13 ' A' ' 22' ' ' ILE . 0.6 OUTLIER -115.83 37.1 3.74 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.478 -179.793 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -93.93 142.85 26.91 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 179.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 69.57 6.53 5.75 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.205 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.0 ttm -93.01 178.04 5.88 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.748 0.308 . . . . 0.0 110.59 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.2 p -87.88 149.87 23.85 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.506 179.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.4 tp -57.18 -29.35 63.59 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.554 -0.293 . . . . 0.0 110.772 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.97 -39.31 93.29 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.839 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.17 -42.24 76.75 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.766 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.17 -44.15 87.8 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.76 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.1 mttp -60.8 -35.51 76.68 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.634 179.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.7 m -63.61 -46.35 86.13 Favored 'General case' 0 N--CA 1.462 0.125 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.225 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.2 mt -56.04 -37.67 69.54 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.866 0.365 . . . . 0.0 110.162 179.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 39.8 mt -75.22 -29.52 21.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.736 178.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.74 -50.27 15.77 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.74 0.305 . . . . 0.0 110.974 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 19.3 ttt-85 -60.71 -28.75 68.88 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.239 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.451 ' CB ' ' HG ' ' A' ' 72' ' ' LEU . 9.4 m -65.58 89.63 0.1 Allowed 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.009 0.433 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.1 mttm -91.29 54.76 2.64 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.232 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 158.14 -117.86 0.8 Allowed Glycine 0 C--N 1.334 0.44 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.295 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.43 140.72 43.09 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.843 0.354 . . . . 0.0 111.333 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.451 ' HG ' ' CB ' ' A' ' 68' ' ' SER . 0.5 OUTLIER -124.9 144.74 50.17 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.672 179.905 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.39 136.16 53.15 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.779 179.734 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -141.54 126.17 17.9 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.013 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.2 t -100.63 117.16 45.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 28.0 m -119.33 162.7 17.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.588 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.01 129.34 53.35 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.213 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -159.1 158.86 33.76 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.77 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -59.36 141.21 55.08 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.396 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -81.31 149.6 28.87 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.293 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.76 130.91 43.93 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.126 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 . . . . . 0 C--O 1.251 1.142 0 CA-C-O 118.67 -0.681 . . . . 0.0 111.627 -179.865 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 120.598 0.237 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.92 132.12 52.18 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.8 0.334 . . . . 0.0 111.336 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 38.3 t -112.02 123.56 67.9 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.138 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 4.9 m -127.02 112.16 14.9 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.819 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 41.1 mt -110.8 157.69 19.52 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.051 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 33.2 t -123.41 103.32 12.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.099 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.506 ' HB2' ' CZ ' ' B' ' 14' ' ' TYR . 2.0 ttmt -80.75 147.1 30.69 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.301 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.441 ' HB2' ' HB2' ' B' ' 12' ' ' GLU . 49.2 m -92.95 -23.67 18.65 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.558 179.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 39.2 ttt180 77.2 -56.82 0.53 Allowed 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 122.565 0.346 . . . . 0.0 111.252 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -47.3 -55.87 7.9 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.569 0.223 . . . . 0.0 111.143 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -170.03 79.23 0.1 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.911 0.386 . . . . 0.0 111.148 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . 0.441 ' HB2' ' HB2' ' B' ' 8' ' ' SER . 2.5 mt-10 -173.59 81.89 0.04 OUTLIER 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.959 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -73.46 162.32 29.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.94 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . 0.506 ' CZ ' ' HB2' ' B' ' 7' ' ' LYS . 61.8 m-85 -68.74 -29.46 67.86 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.391 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.15 46.99 92.94 Favored Glycine 0 C--N 1.335 0.515 0 C-N-CA 121.284 -0.484 . . . . 0.0 113.018 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 pp -124.77 129.27 50.14 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.777 0.323 . . . . 0.0 110.973 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.419 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 1.3 mmt85 -82.68 117.66 22.78 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.705 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -106.4 132.0 52.95 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.992 -179.765 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.41 ' CB ' ' CZ ' ' A' ' 23' ' ' PHE . . . -136.15 175.45 9.59 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.211 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 58.3 p -141.01 150.16 42.68 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.923 0.392 . . . . 0.0 111.703 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' HIS . . . . . 0.459 ' HD2' ' CE1' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -114.75 177.16 4.75 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.109 179.718 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 26.8 mm -132.54 120.82 43.66 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.365 179.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.489 ' CE1' ' HD2' ' A' ' 21' ' ' HIS . 20.9 p90 -125.51 -175.93 3.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.372 -179.584 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t -96.57 113.68 31.54 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-O 120.861 0.362 . . . . 0.0 111.54 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.562 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 21.7 tptp -66.47 -40.71 89.49 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.786 179.136 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.418 ' HG3' ' HB2' ' A' ' 17' ' ' ARG . 2.1 pt-20 179.92 172.83 0.99 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.961 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 2.7 mt -133.75 137.47 52.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.184 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.977 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.59 149.88 34.76 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.157 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -75.51 150.0 38.27 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.824 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 57.36 37.4 27.99 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.026 -179.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.95 174.31 5.96 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.825 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 42.5 mt -58.62 -41.91 86.99 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.176 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.14 -46.71 89.45 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.218 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.13 -38.68 83.82 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.076 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.87 -39.32 51.51 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.895 179.629 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -63.09 -35.9 81.81 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.386 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.75 35.18 84.94 Favored Glycine 0 C--N 1.334 0.456 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.419 -179.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -121.65 -53.5 1.98 Allowed 'General case' 0 C--N 1.334 -0.082 0 CA-C-O 120.606 0.241 . . . . 0.0 110.911 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 3.3 mp -72.41 123.22 26.56 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.817 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -128.17 142.9 51.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.823 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.18 119.45 6.88 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.66 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.81 4.37 51.77 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 120.95 -0.643 . . . . 0.0 113.178 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.04 130.19 39.34 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 117.138 0.469 . . . . 0.0 110.628 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 22.1 t -84.66 104.22 12.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.794 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 21.6 t -81.84 137.76 20.66 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.272 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.67 -39.33 4.34 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.163 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 6.2 mtpp -137.71 157.61 46.1 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.881 0.372 . . . . 0.0 111.543 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 20.6 mt -143.31 123.04 8.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.501 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 52.95 36.54 22.15 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.457 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.77 35.89 44.22 Favored Glycine 0 C--N 1.335 0.5 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.731 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.7 132.4 17.89 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.517 0.199 . . . . 0.0 110.599 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 24.0 t -76.33 136.28 25.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.808 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -118.27 34.64 5.09 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.187 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -95.55 142.74 27.52 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.188 179.201 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 65.68 12.74 8.5 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.856 -179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -101.52 175.13 5.67 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.731 0.3 . . . . 0.0 110.866 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 3.8 m -81.91 147.53 29.23 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.715 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 14.5 tp -56.04 -29.77 60.94 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.837 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.66 -40.02 95.8 Favored 'General case' 0 CA--C 1.527 0.092 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.867 179.48 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -55.33 -47.2 76.02 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.454 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.54 -37.65 76.12 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.418 179.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' B' ' 63' ' ' THR . 0.0 OUTLIER -64.99 -36.99 86.19 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.424 179.201 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' THR . . . . . 0.412 ' N ' ' HG3' ' B' ' 62' ' ' LYS . 0.2 OUTLIER -63.96 -41.7 97.5 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 179.656 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.33 -34.06 66.2 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.73 0.3 . . . . 0.0 110.852 179.477 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 17.1 mt -78.63 -29.02 14.49 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.727 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -77.99 -45.04 24.91 Favored 'General case' 0 CA--C 1.53 0.173 0 CA-C-O 120.77 0.319 . . . . 0.0 110.93 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.75 -17.4 64.59 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.053 -0.521 . . . . 0.0 112.303 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 58.2 p -56.7 104.32 0.15 Allowed 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 121.007 0.432 . . . . 0.0 111.024 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -65.83 -44.59 85.1 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.85 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -146.94 -64.59 0.01 OUTLIER Glycine 0 C--N 1.335 0.504 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.713 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -95.6 136.74 35.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.841 0.353 . . . . 0.0 110.995 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -118.08 138.76 52.02 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.268 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 6.0 mtpt -121.03 135.81 55.12 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.078 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 12.8 mtp -137.67 124.99 21.81 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 21.9 t -100.3 120.96 50.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.937 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 12.6 m -129.31 165.67 28.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 120.778 0.323 . . . . 0.0 111.418 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -152.94 122.84 6.93 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.103 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 19.2 ttt-85 -116.93 -50.81 2.58 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.836 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -94.84 125.76 39.71 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.856 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -136.38 -50.71 0.69 Allowed 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.078 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 2.2 mt -74.0 -67.25 0.62 Allowed 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.931 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.102 -0.951 . . . . 0.0 111.125 -179.915 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 120.581 0.229 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.2 ttmm -129.19 138.42 51.72 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.314 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 41.3 t -117.59 133.2 65.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.923 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.4 m -129.35 117.24 20.31 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 120.823 0.344 . . . . 0.0 111.162 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 76.4 mt -115.49 155.74 26.96 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.757 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 38.9 t -126.46 102.69 10.19 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 CA-C-O 120.739 0.304 . . . . 0.0 111.074 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.453 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 1.1 ttmm -78.69 142.72 36.9 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.178 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.6 t -97.18 -176.57 3.57 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.149 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? -59.89 -57.05 14.56 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.062 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.1 mttm -157.5 164.53 37.3 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.892 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.4 t30 60.25 35.12 20.91 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.527 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -163.1 57.53 0.19 Allowed 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.043 0.449 . . . . 0.0 110.627 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.83 165.36 25.05 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.951 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.453 ' CZ ' ' HB2' ' A' ' 7' ' ' LYS . 69.3 m-85 -60.2 -34.05 73.08 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.361 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.86 29.37 61.72 Favored Glycine 0 C--N 1.335 0.523 0 C-N-CA 121.068 -0.587 . . . . 0.0 113.027 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 pp -111.48 123.96 51.3 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.859 0.361 . . . . 0.0 110.857 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.532 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.2 OUTLIER -85.05 145.47 27.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.486 179.847 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.72 163.58 27.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.069 0.461 . . . . 0.0 111.711 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.413 ' HB2' ' CZ ' ' B' ' 23' ' ' PHE . . . -158.76 177.41 11.21 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.183 -179.556 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 80.4 p -139.46 153.74 47.61 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 120.874 0.368 . . . . 0.0 111.516 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.431 ' HD2' ' CE1' ' B' ' 23' ' ' PHE . 0.2 OUTLIER -119.53 175.14 5.99 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.468 179.632 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.406 HG13 ' HB ' ' A' ' 53' ' ' THR . 27.8 mm -129.08 137.66 56.56 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-O 120.73 0.3 . . . . 0.0 111.397 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.412 ' CE1' ' HD2' ' B' ' 21' ' ' HIS . 10.8 p90 -149.01 178.8 8.38 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.379 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.5 t -104.02 122.17 56.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.247 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.478 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 10.5 tptt -76.58 -35.39 58.19 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.27 179.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' B' ' 17' ' ' ARG . 0.7 OUTLIER -172.68 175.46 3.43 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.916 0.389 . . . . 0.0 111.321 -179.775 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.8 mm -123.3 131.71 72.69 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.495 179.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t -76.34 138.68 40.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.8 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.57 143.21 54.96 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 t0 59.19 37.67 23.8 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.6 p -110.58 177.2 4.76 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.931 0.396 . . . . 0.0 111.164 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' B' ' 7' ' ' LYS . 21.7 mt -63.86 -34.4 77.85 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.106 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.86 -34.25 77.72 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.773 -0.194 . . . . 0.0 111.198 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.43 -52.16 59.48 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.35 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.78 -35.18 72.45 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.097 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -61.56 -35.92 79.14 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.089 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.18 31.5 81.04 Favored Glycine 0 C--N 1.335 0.475 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.978 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -123.55 -44.01 2.13 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.706 0.253 . . . . 0.0 111.299 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.6 mp -83.87 127.43 39.78 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.989 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -137.76 169.22 18.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.939 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -74.21 127.17 32.27 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.666 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.11 -20.93 39.24 Favored Glycine 0 CA--C 1.522 0.491 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.457 -179.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -54.02 138.18 37.92 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.683 0.278 . . . . 0.0 111.249 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.0 t -101.99 99.61 8.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.925 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.0 t -74.45 128.29 36.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.9 tp -103.29 -44.6 5.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.422 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -133.27 153.1 51.86 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.857 0.361 . . . . 0.0 111.81 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.5 mp -139.35 123.33 19.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.409 179.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 57.61 30.54 18.95 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.13 -179.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 83.26 32.7 24.97 Favored Glycine 0 C--N 1.337 0.621 0 C-N-CA 120.981 -0.628 . . . . 0.0 113.217 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -148.36 129.44 14.51 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 117.084 0.442 . . . . 0.0 111.053 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 20.8 t -74.49 138.78 20.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.694 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.406 ' HB ' HG13 ' A' ' 22' ' ' ILE . 0.9 OUTLIER -112.33 24.3 12.7 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 179.836 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -82.6 144.08 30.57 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 179.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.7 m120 64.78 14.31 9.07 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.582 -179.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.5 ttm -107.57 165.77 11.16 Favored 'General case' 0 CA--C 1.53 0.212 0 CA-C-O 120.796 0.331 . . . . 0.0 111.138 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 51.7 m -74.31 143.36 45.0 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.715 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 25.2 tp -56.26 -32.65 64.71 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.029 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.07 -39.34 93.86 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.402 179.406 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -55.11 -44.59 75.12 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.006 179.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.91 -38.99 73.62 Favored 'General case' 0 CA--C 1.527 0.096 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.979 179.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -35.98 79.38 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.642 179.432 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.2 m -62.67 -43.99 97.39 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.81 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.9 mt -56.39 -37.28 69.91 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 17.1 mt -69.84 -32.2 51.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.335 178.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -74.18 -43.38 57.49 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.731 0.301 . . . . 0.0 110.7 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -66.86 -18.66 65.49 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.919 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.46 ' OG ' ' HG ' ' A' ' 72' ' ' LEU . 63.0 m -57.92 110.7 0.97 Allowed 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.569 0.223 . . . . 0.0 110.924 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.36 -56.4 20.73 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.129 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -134.04 -79.63 0.13 Allowed Glycine 0 C--N 1.335 0.498 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.352 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -79.22 145.52 33.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.739 0.304 . . . . 0.0 110.912 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.46 ' HG ' ' OG ' ' A' ' 68' ' ' SER . 0.7 OUTLIER -123.27 118.53 27.78 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.885 179.872 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -94.76 135.61 36.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.492 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 11.3 mtp -140.69 123.63 16.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.838 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 26.3 t -98.06 123.7 50.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.658 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 24.1 t -120.04 152.5 22.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.888 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.27 153.98 17.76 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.675 0.274 . . . . 0.0 110.777 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -111.73 -81.65 0.59 Allowed 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.773 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -151.96 37.49 0.56 Allowed 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 120.914 0.388 . . . . 0.0 110.84 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -73.79 150.52 41.01 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.107 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.52 122.49 22.27 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.113 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 . . . . . 0 C--O 1.251 1.137 0 CA-C-O 118.457 -0.783 . . . . 0.0 110.695 179.896 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 20.7 m . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 120.671 0.272 . . . . 0.0 111.288 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -110.89 124.67 52.52 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.883 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 21.7 t -111.94 131.44 63.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.934 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.95 115.13 17.36 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.774 0.321 . . . . 0.0 111.157 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.403 HD13 ' HB3' ' A' ' 32' ' ' LEU . 3.2 mm? -107.11 157.48 17.81 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.715 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 12.1 t -129.92 100.1 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.137 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.982 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.521 ' HB2' ' CZ ' ' B' ' 14' ' ' TYR . 0.5 OUTLIER -75.83 127.21 32.53 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.994 179.913 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 41.8 m -106.2 140.47 39.1 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.924 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 24.8 mtt180 -85.86 57.69 4.62 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 121.049 0.452 . . . . 0.0 110.891 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 33.0 tttp -137.22 -80.8 0.37 Allowed 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.18 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -158.12 43.88 0.3 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.897 0.38 . . . . 0.0 111.093 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -137.66 102.04 4.64 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.241 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -93.67 165.95 12.46 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.714 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . 0.521 ' CZ ' ' HB2' ' B' ' 7' ' ' LYS . 59.6 m-85 -58.67 -42.41 88.41 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.349 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.74 51.92 49.47 Favored Glycine 0 CA--C 1.522 0.485 0 C-N-CA 121.189 -0.529 . . . . 0.0 113.203 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 pp -125.66 124.68 41.67 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 120.774 0.321 . . . . 0.0 110.979 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.478 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -84.38 109.66 18.02 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.437 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.0 142.97 28.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.751 -179.229 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -142.83 175.18 10.02 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.077 179.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 99.4 p -143.37 151.31 40.28 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.089 0.471 . . . . 0.0 112.031 -179.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' HIS . . . . . 0.412 ' HD2' ' CE1' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -118.07 174.8 6.0 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.799 179.544 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 32.1 mm -130.44 138.71 53.14 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.333 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.431 ' CE1' ' HD2' ' A' ' 21' ' ' HIS . 12.4 p90 -149.2 174.78 12.0 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.348 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 41.4 t -95.06 123.64 47.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.845 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.532 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 12.1 tptp -75.71 -40.74 55.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.746 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -175.88 176.23 1.85 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.817 0.342 . . . . 0.0 110.972 -179.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 3.7 mp -136.88 134.12 48.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.808 179.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 11.7 t -83.69 148.48 27.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -72.56 154.78 40.62 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.912 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 58.15 32.41 21.98 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.973 -179.443 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 60.9 m -112.57 166.58 11.2 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 7' ' ' LYS . 22.1 mt -57.18 -41.18 78.78 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.976 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.57 -44.63 81.74 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.982 179.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.32 -39.92 92.3 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.004 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.62 -41.45 60.38 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.707 179.342 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -62.1 -33.67 74.88 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.414 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.78 34.92 88.79 Favored Glycine 0 C--N 1.335 0.494 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.799 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -116.12 -41.1 3.2 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 120.468 0.175 . . . . 0.0 111.419 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 29.9 mm -86.82 125.45 40.84 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-O 120.71 0.291 . . . . 0.0 111.33 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -132.11 157.32 44.54 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -60.32 120.72 10.39 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.83 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.52 -14.13 46.82 Favored Glycine 0 CA--C 1.523 0.552 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.899 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -54.03 126.66 23.46 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.933 0.366 . . . . 0.0 111.125 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.9 t -99.44 106.17 18.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 22.0 t -82.94 136.3 23.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-O 121.049 0.452 . . . . 0.0 111.462 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 6.2 tt -109.65 -40.1 4.94 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.48 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -134.82 148.22 50.13 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -179.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 8.1 mm -123.52 119.0 56.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.628 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 20.1 p30 41.11 38.74 0.77 Allowed 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.136 0.574 . . . . 0.0 112.01 -179.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 87.21 37.77 8.13 Favored Glycine 0 C--N 1.336 0.582 0 C-N-CA 120.952 -0.642 . . . . 0.0 113.286 179.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.25 121.01 8.09 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.977 0.389 . . . . 0.0 110.616 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 23.1 t -66.5 140.33 19.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.518 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.04 24.33 10.2 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.726 -179.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -97.9 148.1 23.78 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.822 0.344 . . . . 0.0 110.312 178.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 70.24 1.29 3.5 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.354 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.19 168.23 9.2 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.744 0.307 . . . . 0.0 110.966 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 7.3 m -72.43 145.78 47.39 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.844 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 39.0 tp -54.22 -30.21 49.22 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.943 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.22 -44.07 97.87 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.57 179.567 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -54.96 -45.43 74.94 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.28 -39.57 93.38 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.997 178.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' B' ' 63' ' ' THR . 0.0 OUTLIER -62.72 -31.89 72.89 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.478 179.058 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' THR . . . . . 0.438 ' N ' ' HG3' ' B' ' 62' ' ' LYS . 0.2 OUTLIER -71.64 -39.18 70.56 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.89 179.506 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 mt -54.98 -37.46 66.57 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.496 179.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 34.0 mt -69.86 -32.03 50.34 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.649 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.46 -45.47 59.38 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.665 0.269 . . . . 0.0 110.747 179.497 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.49 -25.95 66.45 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.364 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' SER . . . . . 0.537 ' CB ' ' HG ' ' B' ' 72' ' ' LEU . 2.3 m -74.52 84.92 2.03 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.911 0.386 . . . . 0.0 110.607 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -72.56 -32.05 65.75 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.64 -179.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -114.89 -107.05 2.65 Favored Glycine 0 C--N 1.337 0.601 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.758 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.76 150.01 36.25 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 120.853 0.358 . . . . 0.0 111.358 -179.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . 0.537 ' HG ' ' CB ' ' B' ' 68' ' ' SER . 0.5 OUTLIER -126.95 131.02 51.19 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.791 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 49.5 mttt -119.26 133.39 55.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.244 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 8.6 mtp -139.42 145.6 39.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.963 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 24.8 t -113.72 110.92 33.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.559 179.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 5.2 m -100.73 163.11 3.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.237 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.049 179.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.25 152.9 18.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.13 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -145.04 155.62 43.46 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 179.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 4.7 t0 72.31 144.57 0.07 Allowed 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.329 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -165.28 -48.62 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.439 179.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 12.6 mt 68.43 136.94 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.002 0.43 . . . . 0.0 111.509 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 . . . . . 0 C--O 1.251 1.144 0 CA-C-O 118.327 -0.844 . . . . 0.0 110.735 179.825 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 42.7 mttm . . . . . 0 CA--C 1.528 0.116 0 CA-C-O 120.661 0.267 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.836 HG13 ' HB3' ' B' ' 38' ' ' ASN . 19.4 t -107.04 113.93 44.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.247 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.508 ' C ' HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -116.94 123.2 46.4 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.221 179.877 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.721 HD21 HG12 ' A' ' 3' ' ' VAL . 3.0 mm? -121.63 160.27 24.74 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.781 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.459 ' O ' HD22 ' B' ' 32' ' ' LEU . 11.1 t -128.21 102.72 8.86 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.15 0 CA-C-O 120.855 0.359 . . . . 0.0 111.343 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.453 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 2.0 ttmt . . . . . 0 N--CA 1.464 0.275 0 CA-C-O 121.282 0.563 . . . . 0.0 110.818 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 . . . . . 0 N--CA 1.463 0.198 0 CA-C-O 120.916 0.389 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.676 ' HB3' HD23 ' A' ' 16' ' ' LEU . 59.4 m-85 -65.58 -31.56 72.67 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.424 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.12 48.47 73.82 Favored Glycine 0 C--N 1.338 0.667 0 C-N-CA 121.117 -0.564 . . . . 0.0 112.741 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.676 HD23 ' HB3' ' A' ' 14' ' ' TYR . 3.2 pp -118.04 124.05 47.16 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.782 0.325 . . . . 0.0 110.976 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.493 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 1.1 mmt180 -75.42 111.93 11.21 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.445 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.795 HD11 HG23 ' B' ' 22' ' ' ILE . 0.6 OUTLIER -99.77 133.57 43.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.431 -179.396 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.64 ' N ' HD13 ' A' ' 18' ' ' LEU . . . -134.45 175.7 9.29 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.653 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.8 p -141.57 151.9 43.6 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.002 0.43 . . . . 0.0 111.826 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.411 ' HD2' ' CE1' ' B' ' 23' ' ' PHE . 0.2 OUTLIER -119.04 177.81 4.73 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.578 179.614 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.774 ' CG2' HD11 ' B' ' 18' ' ' LEU . 29.3 mm -132.47 140.77 46.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.814 0.34 . . . . 0.0 111.203 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.487 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 12.5 p90 -149.41 176.42 10.6 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.363 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.512 HG21 HG23 ' A' ' 39' ' ' ILE . 26.2 t -102.75 106.86 20.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.866 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.523 ' HB2' ' HB2' ' B' ' 19' ' ' ALA . 6.0 tptp -59.45 -35.71 74.57 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.304 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -175.11 175.21 2.31 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.94 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.752 HD12 ' HG3' ' A' ' 41' ' ' GLU . 2.4 mp -130.65 137.46 56.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.923 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.7 m -77.4 148.88 35.26 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.842 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.0 155.45 34.95 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.836 0.35 . . . . 0.0 111.25 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 54.05 34.61 20.24 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.179 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.2 p -109.41 173.12 6.47 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.911 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.414 ' HB2' ' HA ' ' B' ' 14' ' ' TYR . 12.0 mt -60.85 -37.03 80.69 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.795 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.437 ' CB ' HD13 ' A' ' 39' ' ' ILE . . . -62.66 -45.78 91.24 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.044 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.69 -39.25 90.78 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.183 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -74.23 -39.22 63.21 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.731 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -68.26 -35.03 77.26 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.348 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.31 44.81 92.95 Favored Glycine 0 C--N 1.336 0.532 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.585 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.61 ' CB ' HG13 ' B' ' 3' ' ' VAL . 2.5 m-80 -123.78 -46.39 1.99 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.481 0.182 . . . . 0.0 111.418 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.899 HD11 HD21 ' B' ' 5' ' ' LEU . 3.6 mp -83.5 124.24 39.45 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.138 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.521 ' C ' HD11 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -118.02 155.97 29.38 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.884 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.752 ' HG3' HD12 ' A' ' 27' ' ' ILE . 1.7 mp0 -61.33 110.8 1.52 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.725 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.49 4.95 43.12 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 121.002 -0.618 . . . . 0.0 113.106 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.77 131.99 47.1 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.916 0.358 . . . . 0.0 110.934 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 30.9 t -93.08 115.18 31.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.925 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.406 HG22 ' CG1' ' A' ' 76' ' ' VAL . 21.9 t -91.27 136.81 23.27 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.386 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.6 mp -112.14 -39.6 4.42 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.179 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -132.47 151.95 51.71 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.84 0.353 . . . . 0.0 111.341 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.417 HG23 ' HG3' ' A' ' 74' ' ' MET . 38.5 mt -140.43 124.0 17.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.608 179.554 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 57.99 31.84 21.16 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.267 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.69 32.79 40.1 Favored Glycine 0 C--N 1.337 0.607 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.736 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -144.02 137.86 27.96 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.714 0.257 . . . . 0.0 110.672 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.54 HG12 ' H ' ' A' ' 54' ' ' GLU . 17.9 t -62.93 145.74 13.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.719 HG22 HG13 ' A' ' 22' ' ' ILE . 1.4 m -128.52 34.86 4.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.331 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.54 ' H ' HG12 ' A' ' 52' ' ' VAL . 0.3 OUTLIER -103.74 144.0 32.05 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.709 0.29 . . . . 0.0 110.319 179.269 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 67.91 7.52 5.83 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.868 -179.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -93.29 159.83 15.09 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.757 0.313 . . . . 0.0 111.005 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.3 m -77.25 148.45 35.77 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.804 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.436 HD22 ' O ' ' B' ' 55' ' ' ASN . 32.7 tp -55.19 -30.23 59.5 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.964 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.71 -43.13 90.08 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.978 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.91 -41.01 86.24 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.829 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.33 -37.08 74.41 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.612 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.3 mmtt -65.11 -35.91 82.62 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.503 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.71 -43.79 92.31 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.446 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.12 -35.56 64.79 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.739 0.304 . . . . 0.0 110.491 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.633 ' HA ' HD11 ' A' ' 72' ' ' LEU . 22.7 mt -71.72 -32.47 45.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.698 179.126 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -75.88 -37.95 58.35 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.773 0.321 . . . . 0.0 110.846 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -59.87 -33.34 71.69 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.206 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.6 114.86 2.68 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.816 0.341 . . . . 0.0 111.538 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.78 -35.79 64.98 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.09 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -149.47 -67.51 0.01 OUTLIER Glycine 0 C--N 1.334 0.449 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.731 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.545 ' HG3' HG13 ' B' ' 6' ' ' VAL . 0.0 OUTLIER -87.5 128.52 35.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.594 0.235 . . . . 0.0 111.315 -179.705 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.741 HD12 ' CE2' ' B' ' 14' ' ' TYR . 0.6 OUTLIER -113.93 124.14 51.46 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.916 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.495 ' HG2' HG23 ' B' ' 4' ' ' THR . 22.6 mttm -102.22 138.84 38.63 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.83 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.417 ' HG3' HG23 ' A' ' 48' ' ' ILE . 9.0 mtp -146.5 119.66 8.87 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.839 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 22.3 t -98.61 111.26 27.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.692 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.406 ' CG1' HG22 ' A' ' 45' ' ' VAL . 10.3 m -106.71 170.23 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.437 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.234 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.379 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 8.6 m . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 120.743 0.306 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -99.02 124.97 44.39 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.004 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' VAL . . . . . 0.61 HG13 ' CB ' ' A' ' 38' ' ' ASN . 24.4 t -103.61 125.08 58.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.713 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 4' ' ' THR . . . . . 0.495 HG23 ' HG2' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -128.89 109.73 11.51 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.18 -179.883 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.899 HD21 HD11 ' A' ' 39' ' ' ILE . 3.2 mm? -100.0 158.33 15.9 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.651 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 6' ' ' VAL . . . . . 0.545 HG13 ' HG3' ' A' ' 71' ' ' LYS . 15.8 t -135.51 98.65 2.1 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 CA-C-O 120.962 0.41 . . . . 0.0 111.228 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.405 ' HA ' HD11 ' A' ' 32' ' ' LEU . 12.5 ttmt . . . . . 0 C--N 1.332 -0.168 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.594 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 . . . . . 0 C--O 1.233 0.198 0 CA-C-O 120.664 0.269 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 14' ' ' TYR . . . . . 0.768 ' HB3' HD23 ' B' ' 16' ' ' LEU . 49.1 m-85 -58.72 -42.77 89.48 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.025 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 51.4 53.86 26.46 Favored Glycine 0 C--N 1.337 0.602 0 C-N-CA 121.306 -0.473 . . . . 0.0 112.995 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.768 HD23 ' HB3' ' B' ' 14' ' ' TYR . 2.2 pp -119.21 117.94 29.98 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 120.845 0.355 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.475 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -71.7 114.96 10.33 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.544 179.893 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.774 HD11 ' CG2' ' A' ' 22' ' ' ILE . 0.3 OUTLIER -98.88 137.33 37.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.577 -179.372 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.558 ' N ' HD13 ' B' ' 18' ' ' LEU . . . -139.54 179.52 6.51 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.749 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 60.6 p -147.63 154.57 40.81 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.984 0.421 . . . . 0.0 111.753 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -122.03 176.93 5.54 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.694 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.795 HG23 HD11 ' A' ' 18' ' ' LEU . 34.8 mm -131.22 138.3 53.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-O 120.828 0.347 . . . . 0.0 111.292 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.542 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 9.9 p90 -147.62 175.29 10.99 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.0 t -105.27 112.95 40.91 Favored 'Isoleucine or valine' 0 C--O 1.233 0.184 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.982 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.493 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 5.3 tptt -62.72 -38.78 91.82 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.107 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -174.57 174.13 2.76 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 2.9 mt -127.09 133.9 67.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.832 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 37.6 m -73.64 143.27 46.36 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -70.89 148.24 47.97 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.032 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 59.48 38.76 22.44 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.318 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.75 171.36 7.8 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.124 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.459 HD22 ' O ' ' A' ' 6' ' ' VAL . 45.3 mt -55.54 -44.59 76.89 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.212 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.9 -50.62 73.32 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.456 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.82 -36.6 83.73 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.107 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.32 -38.67 71.69 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.182 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.2 -34.29 59.28 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.47 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.84 43.73 65.2 Favored Glycine 0 C--N 1.334 0.438 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.911 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.836 ' HB3' HG13 ' A' ' 3' ' ' VAL . 5.5 m-80 -118.12 -44.15 2.71 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.628 0.214 . . . . 0.0 111.363 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' ILE . . . . . 0.799 HG12 HG11 ' A' ' 3' ' ' VAL . 28.2 mt -86.12 136.38 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.154 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -128.98 159.21 36.61 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -64.46 113.84 3.93 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.8 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.72 6.11 47.06 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 121.041 -0.6 . . . . 0.0 113.062 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.34 127.72 33.99 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 117.07 0.435 . . . . 0.0 110.783 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 31.7 t -90.56 101.94 12.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.184 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.691 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 25.9 t -80.6 132.67 31.15 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.454 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.6 HD23 ' HG3' ' B' ' 47' ' ' LYS . 8.4 tt -106.83 -42.88 4.82 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.892 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 47' ' ' LYS . . . . . 0.6 ' HG3' HD23 ' B' ' 46' ' ' LEU . 5.0 mtpm? -127.83 157.96 39.02 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.862 0.363 . . . . 0.0 111.79 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.523 HD12 HD13 ' B' ' 64' ' ' LEU . 22.2 mt -138.87 119.94 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.575 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 44.25 33.99 0.94 Allowed 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.967 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 88.92 37.08 7.43 Favored Glycine 0 C--N 1.335 0.476 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.873 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -152.05 122.08 7.11 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.755 0.277 . . . . 0.0 110.814 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.4 HG22 ' HG3' ' B' ' 47' ' ' LYS . 40.0 t -71.05 139.24 20.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.786 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.466 HG21 HD12 ' B' ' 48' ' ' ILE . 0.6 OUTLIER -122.83 47.59 1.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.482 -179.879 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.66 142.31 35.62 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.824 0.345 . . . . 0.0 110.298 179.014 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 55' ' ' ASN . . . . . 0.436 ' O ' HD22 ' A' ' 58' ' ' LEU . 5.9 m-20 69.64 6.42 5.7 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.06 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 3.5 ttm -89.15 -172.22 3.57 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.723 0.297 . . . . 0.0 110.886 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 77.3 p -101.17 149.92 23.49 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.834 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.617 HD11 ' HA ' ' A' ' 19' ' ' ALA . 9.7 tp -56.4 -30.01 62.23 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.818 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -43.09 93.62 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.84 -41.16 86.26 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.754 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.57 -36.56 71.85 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.597 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -67.53 -34.89 78.01 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.627 179.336 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.27 -41.18 70.35 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.23 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.523 HD13 HD12 ' B' ' 48' ' ' ILE . 0.5 OUTLIER -55.17 -39.47 69.57 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.848 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 42.2 mt -68.8 -31.47 50.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.7 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -69.79 -41.14 75.48 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.746 0.308 . . . . 0.0 110.853 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -74.53 -25.25 59.2 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.597 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 1.2 m -73.92 73.16 1.62 Allowed 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.988 0.423 . . . . 0.0 110.547 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.05 83.99 7.38 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.839 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 140.29 -126.75 3.28 Favored Glycine 0 C--N 1.333 0.399 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.537 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -79.7 131.35 35.93 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.764 0.316 . . . . 0.0 111.154 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.648 HD12 ' CZ ' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -113.68 118.87 35.54 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.709 179.728 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 20.8 ttpp -117.62 105.95 12.59 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.984 0.421 . . . . 0.0 110.642 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -114.93 156.1 25.65 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.82 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 18.7 t -116.8 116.97 53.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 6.6 m -101.92 150.84 5.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.404 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? . . . . . 0 C--O 1.233 0.195 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.736 179.838 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.21 0 CA-C-O 120.839 0.352 . . . . 0.0 111.343 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.773 HG13 ' CB ' ' B' ' 38' ' ' ASN . 25.1 t -110.77 130.78 63.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.863 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.9 m -128.8 106.23 8.78 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 120.787 0.327 . . . . 0.0 111.011 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.845 HD11 HD11 ' B' ' 39' ' ' ILE . 32.5 mt -100.98 159.72 14.98 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.662 HG22 ' HG2' ' B' ' 71' ' ' LYS . 19.1 t -130.64 102.21 6.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.225 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.477 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.466 0.325 0 CA-C-O 120.869 0.366 . . . . 0.0 111.401 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.806 0.336 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.726 ' HB3' HD23 ' A' ' 16' ' ' LEU . 56.2 m-85 -66.43 -26.96 67.47 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.541 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.54 41.81 82.38 Favored Glycine 0 C--N 1.337 0.616 0 C-N-CA 121.339 -0.457 . . . . 0.0 113.27 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.726 HD23 ' HB3' ' A' ' 14' ' ' TYR . 2.7 pp -113.71 121.89 45.46 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-O 120.839 0.352 . . . . 0.0 110.933 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.451 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -82.91 109.81 17.36 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.744 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.619 HD11 HG23 ' B' ' 22' ' ' ILE . 0.4 OUTLIER -99.93 131.62 45.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 -179.678 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.56 ' HB3' ' CZ ' ' B' ' 23' ' ' PHE . . . -129.1 171.39 12.44 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.767 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.6 p -133.73 150.05 51.49 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 120.968 0.413 . . . . 0.0 111.727 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -113.18 178.12 4.39 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.876 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.625 ' CG2' HD11 ' B' ' 18' ' ' LEU . 21.4 mm -131.7 136.37 57.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-O 120.807 0.337 . . . . 0.0 111.614 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.519 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 18.3 p90 -149.5 179.6 7.84 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.47 HG21 HG23 ' A' ' 39' ' ' ILE . 26.3 t -107.76 116.25 50.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.033 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.503 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 8.4 tptm -62.93 -44.25 96.58 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.426 ' HG3' ' HB2' ' B' ' 17' ' ' ARG . 0.0 OUTLIER -174.6 175.04 2.57 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.881 0.372 . . . . 0.0 111.084 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.543 HD12 ' HG3' ' A' ' 41' ' ' GLU . 3.2 mp -129.79 143.5 40.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.141 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.8 t -80.56 149.79 29.82 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.344 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -81.04 147.53 30.11 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 60.02 35.59 21.46 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.231 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.5 m -113.72 179.45 3.96 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.875 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.472 HD12 ' CD1' ' B' ' 14' ' ' TYR . 40.6 mt -58.61 -38.43 77.97 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.777 179.607 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.516 ' CB ' HD13 ' A' ' 39' ' ' ILE . . . -68.47 -38.74 81.35 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.17 -45.62 92.49 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.126 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.77 -41.5 75.08 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.941 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -64.94 -37.89 89.15 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.318 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.12 37.26 94.62 Favored Glycine 0 C--N 1.335 0.496 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.504 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.617 ' CB ' HG13 ' B' ' 3' ' ' VAL . 0.9 OUTLIER -109.01 -54.81 2.48 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-O 120.514 0.197 . . . . 0.0 111.079 -179.752 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.516 HD13 ' CB ' ' A' ' 33' ' ' ALA . 3.4 mp -69.2 130.25 34.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.932 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -125.7 150.67 47.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.543 ' HG3' HD12 ' A' ' 27' ' ' ILE . 8.3 mt-10 -62.93 116.14 5.02 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.4 -12.66 51.35 Favored Glycine 0 CA--C 1.523 0.572 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.985 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -55.92 137.66 50.09 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.991 0.395 . . . . 0.0 111.256 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.8 t -100.12 109.2 24.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.9 t -86.9 133.57 29.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.439 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -98.71 -41.14 7.82 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.189 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.407 ' CG ' HG22 ' A' ' 52' ' ' VAL . 14.8 mttt -133.55 155.8 48.95 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.017 0.437 . . . . 0.0 111.699 -179.695 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.1 mt -139.14 120.91 16.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.514 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 58.22 31.18 20.48 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.443 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.76 33.58 24.14 Favored Glycine 0 C--N 1.334 0.47 0 C-N-CA 120.83 -0.7 . . . . 0.0 113.252 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -153.0 131.72 12.35 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.865 0.332 . . . . 0.0 110.803 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.718 HG12 ' H ' ' A' ' 54' ' ' GLU . 18.0 t -73.73 139.9 18.61 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.407 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.468 ' HA ' ' HE3' ' A' ' 56' ' ' MET . 0.8 OUTLIER -114.48 19.67 15.98 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.718 ' H ' HG12 ' A' ' 52' ' ' VAL . 1.9 tt0 -76.34 140.04 41.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.005 0.431 . . . . 0.0 110.518 179.511 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.56 ' O ' HD22 ' B' ' 58' ' ' LEU . 7.2 m-20 63.4 17.87 10.62 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.812 -179.337 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.468 ' HE3' ' HA ' ' A' ' 53' ' ' THR . 1.7 ttm -104.94 160.06 15.32 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.784 0.326 . . . . 0.0 110.817 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.0 t -64.98 137.39 57.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.441 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.654 HD11 ' HA ' ' B' ' 19' ' ' ALA . 11.9 tp -54.48 -35.15 62.77 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.747 0.308 . . . . 0.0 110.748 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.24 -39.42 94.56 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.882 179.507 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -58.89 -45.6 89.87 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.779 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.66 -39.01 72.98 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.928 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -63.61 -38.83 92.62 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.76 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.88 -43.23 85.93 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.53 -37.63 68.19 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.787 0.327 . . . . 0.0 110.33 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.512 HG23 HD11 ' A' ' 72' ' ' LEU . 33.4 mt -75.83 -30.89 21.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.831 179.193 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -65.57 -48.54 72.04 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.784 0.326 . . . . 0.0 110.78 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.0 ttp-105 -65.65 -28.92 69.45 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.247 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.427 ' CB ' ' HG ' ' A' ' 72' ' ' LEU . 4.3 m -65.41 95.51 0.21 Allowed 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.72 0.295 . . . . 0.0 110.888 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -120.64 47.81 1.72 Allowed 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.921 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -178.37 -62.31 0.07 OUTLIER Glycine 0 C--N 1.334 0.424 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.882 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -138.21 123.24 19.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.629 0.252 . . . . 0.0 110.775 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.756 HD12 ' CE2' ' B' ' 14' ' ' TYR . 0.4 OUTLIER -108.93 137.12 47.36 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.026 -179.905 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -125.4 134.11 52.26 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.803 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -137.16 150.32 47.86 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.958 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.6 t -121.45 112.62 36.11 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.089 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.416 HG12 ' N ' ' A' ' 77' ' ' GLN . 17.4 t -101.54 159.32 4.11 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.416 ' N ' HG12 ' A' ' 76' ' ' VAL . 3.5 tp60 . . . . . 0 C--O 1.233 0.226 0 CA-C-O 120.72 0.295 . . . . 0.0 111.073 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 120.733 0.302 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.31 124.04 49.21 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.894 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 3' ' ' VAL . . . . . 0.617 HG13 ' CB ' ' A' ' 38' ' ' ASN . 22.3 t -103.52 127.49 57.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.107 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 1.7 m -128.53 105.81 8.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.869 0.366 . . . . 0.0 110.743 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.486 HD11 HD11 ' A' ' 39' ' ' ILE . 73.0 mt -100.36 157.62 16.48 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.779 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 10.5 t -128.58 105.91 13.74 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-O 120.886 0.374 . . . . 0.0 111.315 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 1.9 ttmm . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.896 179.563 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 . . . . . 0 CA--C 1.531 0.245 0 CA-C-O 120.804 0.335 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 14' ' ' TYR . . . . . 0.756 ' CE2' HD12 ' A' ' 72' ' ' LEU . 25.5 m-85 -55.05 -37.45 66.72 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.253 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.76 46.36 93.54 Favored Glycine 0 C--N 1.337 0.601 0 C-N-CA 121.156 -0.545 . . . . 0.0 113.191 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.657 HD23 ' HB3' ' B' ' 14' ' ' TYR . 2.2 pp -117.2 119.78 36.25 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.849 0.357 . . . . 0.0 110.737 179.669 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.503 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -77.99 117.52 19.39 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.789 -179.761 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.625 HD11 ' CG2' ' A' ' 22' ' ' ILE . 0.2 OUTLIER -100.49 138.58 37.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.212 -179.564 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.654 ' HA ' HD11 ' A' ' 58' ' ' LEU . . . -140.13 179.09 6.83 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.399 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 57.7 p -143.76 157.99 43.99 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.922 0.392 . . . . 0.0 111.65 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' HIS . . . . . 0.479 ' O ' HD12 ' B' ' 22' ' ' ILE . 0.1 OUTLIER -118.92 178.24 4.56 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.722 179.899 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.619 HG23 HD11 ' A' ' 18' ' ' LEU . 1.0 OUTLIER -134.15 132.71 55.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.684 179.785 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 12.5 p90 -144.63 177.33 8.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.043 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -105.45 116.4 49.18 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.177 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.451 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 4.3 tptp -66.43 -44.88 81.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.966 179.539 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -176.95 174.26 1.75 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.896 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' ILE . . . . . 0.463 ' CG2' ' HB3' ' B' ' 33' ' ' ALA . 3.9 mp -125.07 135.5 63.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.74 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 39.2 t -83.89 148.45 26.94 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.251 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -69.72 156.59 38.75 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 58.98 36.64 24.53 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.924 -179.626 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 23.1 p -118.9 168.9 10.34 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.457 HD12 ' CD1' ' A' ' 14' ' ' TYR . 26.3 mt -62.53 -38.45 90.03 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.112 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.469 ' HB2' HD12 ' B' ' 39' ' ' ILE . . . -62.31 -41.13 98.27 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.61 0.243 . . . . 0.0 111.035 179.509 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.2 -42.78 96.5 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.107 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -71.02 -43.02 68.79 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.679 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -63.46 -37.22 86.46 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.312 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.1 30.42 77.71 Favored Glycine 0 C--N 1.335 0.508 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.816 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.773 ' CB ' HG13 ' A' ' 3' ' ' VAL . 10.7 m-80 -110.15 -33.21 6.73 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 111.578 0.214 . . . . 0.0 111.578 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' ILE . . . . . 0.845 HD11 HD11 ' A' ' 5' ' ' LEU . 26.4 mt -91.67 132.44 36.11 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-O 120.705 0.288 . . . . 0.0 111.133 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -130.97 162.68 29.21 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.024 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -67.71 124.33 22.97 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.819 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.19 -17.74 56.56 Favored Glycine 0 CA--C 1.521 0.424 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.917 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -54.21 120.3 6.3 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.936 0.368 . . . . 0.0 110.941 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 41.0 t -86.1 103.27 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.303 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' VAL . . . . . 0.443 HG11 HG12 ' B' ' 48' ' ' ILE . 19.9 t -71.56 108.81 3.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 CA-C-O 121.022 0.439 . . . . 0.0 111.331 -179.455 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.477 HD13 ' CG ' ' B' ' 77' ' ' GLN . 1.2 mp -74.43 -50.14 19.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.087 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 21.3 mttp -139.13 149.73 44.84 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.905 0.383 . . . . 0.0 111.241 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.556 HG23 ' HG3' ' B' ' 74' ' ' MET . 45.9 mt -131.56 122.7 50.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.529 179.357 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 57.74 35.13 25.25 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.837 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.95 33.71 44.92 Favored Glycine 0 C--N 1.337 0.601 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.988 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.63 131.05 19.76 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.737 0.268 . . . . 0.0 110.611 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.516 HG12 ' H ' ' B' ' 54' ' ' GLU . 17.4 t -61.71 139.4 20.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.162 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.612 ' O ' HD13 ' B' ' 22' ' ' ILE . 1.0 OUTLIER -115.09 36.29 3.96 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.092 179.81 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 54' ' ' GLU . . . . . 0.516 ' H ' HG12 ' B' ' 52' ' ' VAL . 1.2 tt0 -104.15 148.45 26.27 Favored 'General case' 0 N--CA 1.458 -0.049 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 178.615 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' ASN . . . . . 0.551 ' O ' HD22 ' A' ' 58' ' ' LEU . 0.3 OUTLIER 54.13 15.63 0.96 Allowed 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.15 -179.088 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -95.24 138.2 33.26 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.666 0.27 . . . . 0.0 110.432 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 4.6 m -56.73 146.64 25.2 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.978 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.56 HD22 ' O ' ' A' ' 55' ' ' ASN . 42.9 tp -53.87 -32.83 54.51 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.729 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.57 -38.8 84.59 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.608 179.676 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -57.51 -42.11 82.14 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.48 -39.51 76.59 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.935 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' LYS . . . . . 0.428 ' HA ' HD12 ' B' ' 65' ' ' ILE . 6.1 mttp -64.24 -39.51 94.11 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.486 179.179 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.85 -38.14 87.14 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.045 179.541 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.444 HD13 ' HB ' ' B' ' 48' ' ' ILE . 9.2 mt -55.73 -38.47 69.81 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.778 0.323 . . . . 0.0 110.296 179.609 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 65' ' ' ILE . . . . . 0.428 HD12 ' HA ' ' B' ' 62' ' ' LYS . 8.5 mt -74.58 -31.4 27.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.81 179.26 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -69.07 -52.19 31.05 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.01 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -58.83 -31.3 68.37 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.323 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' SER . . . . . 0.408 ' CB ' ' HG ' ' B' ' 72' ' ' LEU . 2.0 m -60.45 116.15 4.1 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.213 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -60.93 -80.02 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.126 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -120.88 -67.25 0.27 Allowed Glycine 0 C--N 1.335 0.521 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.692 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' LYS . . . . . 0.662 ' HG2' HG22 ' A' ' 6' ' ' VAL . 33.5 mttt -77.73 129.3 35.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.702 0.287 . . . . 0.0 110.945 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.66 HD12 ' CZ ' ' A' ' 14' ' ' TYR . 0.6 OUTLIER -115.11 147.99 39.53 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.06 121.26 33.82 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.789 179.607 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.556 ' HG3' HG23 ' B' ' 48' ' ' ILE . 14.0 mtp -127.97 123.44 34.8 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.738 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 29.7 t -98.17 119.07 45.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.747 0.308 . . . . 0.0 111.113 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 28.0 m -112.77 170.19 4.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.479 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 77' ' ' GLN . . . . . 0.477 ' CG ' HD13 ' B' ' 46' ' ' LEU . 29.0 mm100 . . . . . 0 CA--C 1.532 0.277 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.001 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.0 mttm . . . . . 0 C--O 1.233 0.207 0 CA-C-O 120.774 0.321 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.698 HG11 ' CG1' ' B' ' 39' ' ' ILE . 21.6 t -104.4 124.59 59.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.8 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.422 HG23 ' HG2' ' B' ' 73' ' ' LYS . 0.2 OUTLIER -128.23 108.51 10.66 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 120.846 0.355 . . . . 0.0 110.937 -179.779 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.673 ' CD2' HG12 ' A' ' 3' ' ' VAL . 3.5 mm? -103.45 160.41 14.74 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.794 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.3 t -128.77 99.69 5.09 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.977 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.46 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 1.5 ttmm . . . . . 0 N--CA 1.465 0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.081 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.774 0.321 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.747 ' CE2' HD12 ' B' ' 72' ' ' LEU . 76.0 m-85 -61.1 -38.16 85.34 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.363 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.36 41.1 53.52 Favored Glycine 0 C--N 1.336 0.564 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.817 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.848 HD22 HD13 ' B' ' 39' ' ' ILE . 2.4 pp -127.09 126.26 42.69 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.788 0.327 . . . . 0.0 110.911 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.426 ' CB ' ' HB3' ' B' ' 25' ' ' LYS . 1.6 mtt180 -83.03 117.09 22.58 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.457 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.726 HD11 ' CG2' ' B' ' 22' ' ' ILE . 0.3 OUTLIER -97.28 132.85 42.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.083 -179.695 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.547 ' HB3' ' CZ ' ' B' ' 23' ' ' PHE . . . -139.2 166.78 23.64 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.16 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 87.8 p -118.6 149.76 40.82 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.844 0.354 . . . . 0.0 111.226 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -115.62 174.92 5.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 34.6 mm -129.65 136.89 58.13 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.942 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.767 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 13.4 p90 -144.14 173.12 12.01 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.3 t -98.09 114.58 35.91 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.831 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.645 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 4.5 tttm -66.92 -38.97 87.2 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.511 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -179.56 178.54 0.66 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.919 0.39 . . . . 0.0 111.196 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.428 HG23 ' HB3' ' A' ' 33' ' ' ALA . 3.1 mp -128.73 144.38 38.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.983 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.4 t -84.58 158.51 20.88 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.902 0.382 . . . . 0.0 111.039 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -84.66 143.56 29.14 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.248 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 59.94 33.71 21.5 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.572 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.1 m -112.05 175.52 5.4 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.581 -0.282 . . . . 0.0 111.069 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' B' ' 14' ' ' TYR . 72.0 mt -55.26 -45.42 76.1 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.958 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.428 ' HB3' HG23 ' A' ' 27' ' ' ILE . . . -61.51 -45.0 96.04 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.216 179.502 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.3 -40.51 96.07 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.82 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -70.83 -43.18 69.11 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.745 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.422 ' CG ' HD23 ' B' ' 5' ' ' LEU . 0.5 OUTLIER -65.07 -40.86 95.27 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.187 179.717 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.53 32.72 82.47 Favored Glycine 0 C--N 1.334 0.464 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.541 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.646 ' HB3' HG13 ' B' ' 3' ' ' VAL . 2.7 m-80 -109.6 -32.38 7.13 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 111.478 0.177 . . . . 0.0 111.478 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.764 HG13 HG11 ' B' ' 3' ' ' VAL . 2.0 mt -93.1 134.89 29.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.315 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -123.5 139.56 53.89 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.602 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.421 ' N ' HD11 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -60.06 128.54 37.31 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.768 0.318 . . . . 0.0 110.712 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.44 -21.16 42.04 Favored Glycine 0 CA--C 1.521 0.439 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.714 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -56.41 148.88 17.99 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.829 0.347 . . . . 0.0 111.279 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.8 t -106.52 117.73 52.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.841 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.494 HG22 ' CG1' ' A' ' 76' ' ' VAL . 21.9 t -95.02 119.93 43.75 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.246 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.414 ' O ' HD23 ' A' ' 46' ' ' LEU . 2.8 tt -88.99 -45.33 9.74 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.99 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -124.14 151.77 43.57 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.992 0.425 . . . . 0.0 111.455 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 36.3 mt -139.59 121.57 16.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.509 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 59.51 35.44 22.76 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.392 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.3 28.89 63.05 Favored Glycine 0 C--N 1.336 0.573 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.821 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.71 145.98 37.2 Favored 'General case' 0 C--O 1.23 0.071 0 CA-C-N 116.673 0.237 . . . . 0.0 110.633 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.68 HG12 ' H ' ' A' ' 54' ' ' GLU . 21.7 t -77.4 138.16 20.98 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.616 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.68 19.83 14.33 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.674 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.68 ' H ' HG12 ' A' ' 52' ' ' VAL . 0.3 OUTLIER -82.15 150.52 27.39 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.298 179.098 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 51.83 18.88 0.84 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.375 -179.345 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.8 tpp -96.43 170.98 8.85 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.755 0.312 . . . . 0.0 110.78 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.0 m -80.0 143.46 34.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.739 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.762 HD13 ' HA ' ' B' ' 55' ' ' ASN . 0.7 OUTLIER -56.07 -34.71 66.22 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.697 179.614 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.78 -38.56 73.41 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.558 179.706 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -56.85 -45.2 82.56 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.77 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.63 -38.53 75.14 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.9 -36.36 84.12 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.522 179.182 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.15 -41.54 97.13 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.0 mt -54.17 -36.18 63.1 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.287 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.2 mt -66.79 -34.34 69.38 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.823 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -77.03 -45.59 26.69 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.64 0.257 . . . . 0.0 111.012 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.9 ttp85 -66.27 -14.8 62.55 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.834 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 70.2 m -51.94 114.18 1.22 Allowed 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.84 0.352 . . . . 0.0 111.206 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.25 78.47 0.98 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.497 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 76.8 -93.56 1.05 Allowed Glycine 0 C--N 1.334 0.418 0 C-N-CA 121.14 -0.552 . . . . 0.0 112.184 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.18 141.94 49.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.828 0.346 . . . . 0.0 111.468 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.668 HD12 ' CE2' ' B' ' 14' ' ' TYR . 0.6 OUTLIER -112.27 146.02 38.93 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.852 179.892 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -127.17 123.65 37.2 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.504 179.325 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 41.8 mtm -130.53 131.33 45.02 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.856 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.1 t -108.14 112.99 42.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.976 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.494 ' CG1' HG22 ' A' ' 45' ' ' VAL . 19.9 m -110.81 175.6 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.793 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 . . . . . 0 N--CA 1.463 0.191 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.012 -179.959 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.494 1.756 0 CA-C-O 120.747 0.308 . . . . 0.0 111.426 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.08 136.23 52.68 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.759 0.314 . . . . 0.0 110.862 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 3' ' ' VAL . . . . . 0.764 HG11 HG13 ' A' ' 39' ' ' ILE . 44.0 t -106.2 129.92 58.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.065 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.28 105.81 8.8 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.561 179.684 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.748 HD11 HD11 ' A' ' 39' ' ' ILE . 86.4 mt -98.4 160.74 14.08 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.85 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 21.9 t -124.44 101.68 9.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.06 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.549 ' HB2' ' CZ ' ' B' ' 14' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.463 0.186 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.072 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 . . . . . 0 CA--C 1.532 0.28 0 CA-C-O 120.887 0.375 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 14' ' ' TYR . . . . . 0.668 ' CE2' HD12 ' A' ' 72' ' ' LEU . 65.1 m-85 -59.21 -36.67 75.8 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.198 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.42 49.61 71.68 Favored Glycine 0 C--N 1.338 0.645 0 C-N-CA 121.235 -0.507 . . . . 0.0 112.885 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.625 HD13 HD13 ' B' ' 18' ' ' LEU . 2.7 pp -128.28 132.41 48.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.822 0.344 . . . . 0.0 111.162 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.645 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -88.84 127.76 35.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.344 179.481 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.625 HD13 HD13 ' B' ' 16' ' ' LEU . 0.6 OUTLIER -124.73 150.55 46.08 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.062 0.458 . . . . 0.0 111.469 -179.813 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.767 ' HB3' ' CZ ' ' A' ' 23' ' ' PHE . . . -145.7 178.45 8.14 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.956 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 20' ' ' SER . . . . . 0.616 ' HB3' HD12 ' A' ' 58' ' ' LEU . 53.7 p -129.47 153.62 47.78 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.031 0.443 . . . . 0.0 111.708 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -123.48 -177.18 3.64 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.469 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.726 ' CG2' HD11 ' A' ' 18' ' ' LEU . 33.4 mm -128.33 140.63 48.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.107 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.547 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 4.9 p90 -149.43 179.21 8.13 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.052 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 19.3 t -108.62 117.51 54.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.101 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.426 ' HB3' ' CB ' ' A' ' 17' ' ' ARG . 5.7 tptt -60.48 -50.65 72.72 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.08 179.527 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -176.54 159.46 1.9 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.937 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' ILE . . . . . 0.753 HG21 ' HB3' ' B' ' 33' ' ' ALA . 3.6 mp -115.71 138.13 47.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.96 179.709 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 31.0 m -75.38 146.04 41.15 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -69.01 147.91 50.89 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.07 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 t70 59.98 41.45 17.51 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.028 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 23.6 p -114.02 176.62 4.96 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.623 HD12 ' HA ' ' A' ' 14' ' ' TYR . 13.3 mt -58.46 -37.6 75.79 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 179.56 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.753 ' HB3' HG21 ' B' ' 27' ' ' ILE . . . -69.23 -41.9 76.39 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.251 179.617 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.02 -38.78 76.85 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.091 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -78.7 -35.16 45.41 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.823 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -68.08 -43.52 78.35 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.303 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.29 38.37 53.66 Favored Glycine 0 C--N 1.334 0.45 0 C-N-CA 120.955 -0.641 . . . . 0.0 112.484 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.68 ' CB ' HG13 ' A' ' 3' ' ' VAL . 6.8 m-80 -122.82 -45.91 2.13 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.505 0.193 . . . . 0.0 111.339 -179.59 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' ILE . . . . . 0.848 HD13 HD22 ' A' ' 16' ' ' LEU . 19.0 mt -80.92 130.66 35.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.106 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -137.02 162.2 33.97 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.117 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -69.17 128.7 37.57 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.667 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 96.08 -20.44 50.05 Favored Glycine 0 CA--C 1.523 0.536 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.808 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -54.57 117.96 3.78 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.913 0.356 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.0 t -87.31 112.24 22.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.059 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' VAL . . . . . 0.437 HG11 HG12 ' B' ' 48' ' ' ILE . 20.3 t -86.41 114.97 26.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.164 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.46 -39.72 17.2 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.157 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 11.4 mtmt -131.27 153.69 49.28 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.182 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.494 ' HB ' HD13 ' B' ' 64' ' ' LEU . 30.2 mt -142.25 123.43 12.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.533 179.459 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 58.84 33.24 22.93 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.358 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.12 30.59 58.78 Favored Glycine 0 C--N 1.336 0.566 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.514 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 6.4 m -142.55 137.38 30.1 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.55 0.214 . . . . 0.0 110.609 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.487 HG12 ' H ' ' B' ' 54' ' ' GLU . 30.4 t -68.92 143.13 15.36 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.754 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.46 37.87 4.31 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.557 -179.595 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 54' ' ' GLU . . . . . 0.487 ' H ' HG12 ' B' ' 52' ' ' VAL . 0.1 OUTLIER -105.28 141.93 35.94 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.629 -0.26 . . . . 0.0 110.416 179.402 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 55' ' ' ASN . . . . . 0.762 ' HA ' HD13 ' A' ' 58' ' ' LEU . 0.5 OUTLIER 69.48 6.02 5.47 Favored 'General case' 0 CA--C 1.537 0.442 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.228 -179.841 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -95.21 161.38 14.13 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.966 0.412 . . . . 0.0 111.11 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 2.4 p -72.22 145.93 47.65 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.713 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 18.8 tp -55.92 -30.08 61.09 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.168 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.7 -38.86 92.69 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.738 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -59.99 -39.86 87.15 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.855 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.23 -39.36 82.48 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.546 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 15.1 mtmt -62.72 -36.62 83.59 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.291 179.024 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.84 -37.87 85.3 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.993 179.459 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.494 HD13 ' HB ' ' B' ' 48' ' ' ILE . 2.3 mt -55.13 -35.05 64.27 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.81 0.338 . . . . 0.0 110.761 179.594 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 65' ' ' ILE . . . . . 0.412 HG23 HD11 ' B' ' 72' ' ' LEU . 24.5 mt -75.9 -32.23 23.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.875 179.352 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -76.07 -48.3 21.32 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.223 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' ARG . . . . . 0.409 ' HG2' ' HA ' ' B' ' 64' ' ' LEU . 14.6 ptm180 -57.38 -24.55 56.07 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.477 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 11.7 t -50.8 110.94 0.47 Allowed 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.276 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.41 61.06 4.72 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.112 0.482 . . . . 0.0 110.502 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 104.4 -79.54 0.3 Allowed Glycine 0 C--N 1.335 0.505 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.679 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -84.82 133.05 34.34 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.764 0.316 . . . . 0.0 111.456 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.747 HD12 ' CE2' ' A' ' 14' ' ' TYR . 0.4 OUTLIER -108.08 141.91 39.06 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.673 179.514 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 73' ' ' LYS . . . . . 0.422 ' HG2' HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER -122.93 123.18 40.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.583 179.373 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 4.7 mtp -129.1 125.46 37.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.685 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 15.5 t -98.2 122.21 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.456 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.412 HG12 ' N ' ' B' ' 77' ' ' GLN . 14.3 t -100.25 159.29 3.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.555 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 77' ' ' GLN . . . . . 0.412 ' N ' HG12 ' B' ' 76' ' ' VAL . 13.7 tt0 . . . . . 0 C--O 1.233 0.225 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.794 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.53 0.208 0 CA-C-O 120.758 0.313 . . . . 0.0 111.086 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.764 HG22 ' HB3' ' B' ' 38' ' ' ASN . 15.6 t -115.4 128.35 72.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.99 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.3 m -128.82 113.98 15.97 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 120.766 0.317 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.695 HD21 HD11 ' B' ' 39' ' ' ILE . 2.7 mm? -110.89 158.36 18.82 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.97 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.579 HG22 ' HD2' ' B' ' 71' ' ' LYS . 20.8 t -135.3 101.06 2.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.993 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.525 ' HG3' ' HA2' ' B' ' 70' ' ' GLY . 2.2 ptpt . . . . . 0 CA--C 1.531 0.244 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.081 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.863 0.363 . . . . 0.0 111.304 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.911 ' CE2' HD12 ' B' ' 72' ' ' LEU . 14.5 m-85 -66.96 -30.08 70.11 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.93 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.84 47.41 89.01 Favored Glycine 0 C--N 1.335 0.501 0 C-N-CA 121.297 -0.478 . . . . 0.0 113.125 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.584 HD23 ' HB3' ' A' ' 14' ' ' TYR . 1.9 pp -116.56 120.57 39.14 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.925 0.393 . . . . 0.0 111.058 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.539 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -72.79 122.42 21.52 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.827 -179.899 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.47 HD23 ' CD1' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -102.14 140.05 36.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.449 -179.639 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.503 ' HB3' ' CZ ' ' B' ' 23' ' ' PHE . . . -146.37 172.17 13.91 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.154 179.527 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 90.5 p -139.3 152.7 47.44 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.991 0.424 . . . . 0.0 111.944 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.451 ' HD2' ' CE1' ' B' ' 23' ' ' PHE . 0.2 OUTLIER -123.75 -179.29 4.32 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.751 179.9 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.617 HG13 HG22 ' A' ' 53' ' ' THR . 27.3 mm -131.63 142.54 42.9 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.098 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.47 ' CE1' ' HD2' ' B' ' 21' ' ' HIS . 11.6 p90 -149.02 179.44 7.88 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.18 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.557 HG21 HG23 ' A' ' 39' ' ' ILE . 25.6 t -103.02 112.84 37.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.027 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.55 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 9.8 tptt -58.35 -41.93 85.77 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.096 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -176.49 171.62 2.33 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.792 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 mp -126.58 141.51 45.79 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-O 120.786 0.327 . . . . 0.0 111.036 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.3 t -83.48 147.6 27.73 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.109 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.64 147.0 44.16 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.596 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.8 t0 58.85 49.35 9.98 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.585 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.92 169.27 14.15 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.959 -179.63 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.457 ' HB2' ' HA ' ' B' ' 14' ' ' TYR . 26.8 mt -55.39 -43.25 75.02 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.173 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.609 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -61.01 -48.1 83.38 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.132 179.655 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.97 -36.99 86.19 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.14 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -37.5 68.12 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.036 179.76 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.402 ' CG ' HD13 ' B' ' 5' ' ' LEU . 0.5 OUTLIER -73.26 -33.76 65.44 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.537 -179.774 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.1 41.0 61.21 Favored Glycine 0 C--N 1.333 0.407 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.723 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.714 ' HB3' HG13 ' B' ' 3' ' ' VAL . 14.8 m-80 -122.55 -47.2 2.11 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.505 0.193 . . . . 0.0 111.166 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.842 ' CD1' HG11 ' B' ' 3' ' ' VAL . 30.9 mm -77.05 118.78 24.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.01 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.6 tp60 -117.37 154.31 31.53 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.646 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.18 109.13 0.7 Allowed 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.649 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.92 5.67 50.17 Favored Glycine 0 CA--C 1.525 0.675 0 C-N-CA 120.843 -0.694 . . . . 0.0 113.125 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.8 105.47 0.38 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.943 0.371 . . . . 0.0 110.838 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.2 t -74.7 105.4 3.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.679 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.518 HG22 ' CG1' ' A' ' 76' ' ' VAL . 22.0 t -86.42 128.12 39.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.448 -179.495 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.8 tt -98.77 -38.76 8.94 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.116 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -134.55 152.81 52.04 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.852 0.358 . . . . 0.0 111.561 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.594 ' HB ' HD13 ' A' ' 64' ' ' LEU . 32.1 mt -139.37 115.34 9.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.679 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 49.3 m-20 55.56 39.06 30.96 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.243 -179.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.68 25.86 64.17 Favored Glycine 0 CA--C 1.523 0.589 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.911 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -131.6 127.97 38.2 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.776 0.288 . . . . 0.0 110.437 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 13.8 t -63.74 141.3 18.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.939 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.617 HG22 HG13 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -124.0 40.35 3.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.101 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -112.95 140.88 47.38 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.68 0.276 . . . . 0.0 110.28 179.284 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.401 ' HB3' HD22 ' B' ' 58' ' ' LEU . 11.9 m-20 63.52 13.05 6.9 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.896 -179.371 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.9 tpp -97.61 164.14 12.55 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.788 0.327 . . . . 0.0 110.989 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.1 m -73.27 142.2 47.21 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.865 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.627 HD11 ' HA ' ' B' ' 19' ' ' ALA . 12.5 tp -54.28 -33.81 59.48 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.151 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.28 -37.13 84.71 Favored 'General case' 0 CA--C 1.527 0.077 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.882 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -55.11 -41.94 72.3 Favored 'General case' 0 C--O 1.232 0.184 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.0 -38.23 90.37 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.37 178.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 63' ' ' THR . 0.0 OUTLIER -63.61 -33.03 74.71 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.505 179.217 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.472 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 0.3 OUTLIER -71.01 -40.07 72.01 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.967 179.774 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.594 HD13 ' HB ' ' A' ' 48' ' ' ILE . 12.7 mt -54.25 -38.0 65.31 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.926 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.444 ' HA ' HD11 ' A' ' 72' ' ' LEU . 34.0 mt -70.62 -31.79 47.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.063 179.51 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -76.37 -50.67 13.6 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.002 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -67.01 -18.24 65.28 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.0 t -52.73 113.77 1.19 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.726 0.298 . . . . 0.0 111.28 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -88.64 83.16 6.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.598 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.44 ' O ' ' HB3' ' B' ' 7' ' ' LYS . . . 91.64 -120.95 6.18 Favored Glycine 0 C--N 1.334 0.428 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.788 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.39 145.5 53.83 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 120.722 0.296 . . . . 0.0 111.545 -179.625 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.504 HD12 ' CZ ' ' B' ' 14' ' ' TYR . 0.4 OUTLIER -122.14 132.24 54.37 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.218 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.44 130.74 55.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.559 179.591 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 10.1 mtp -139.61 129.68 25.07 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.773 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.5 t -99.22 111.27 28.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.963 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.518 ' CG1' HG22 ' A' ' 45' ' ' VAL . 30.8 m -113.85 172.56 3.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.195 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.167 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.77 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 19.7 p . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -128.55 137.28 51.66 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.695 0.283 . . . . 0.0 111.025 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 3' ' ' VAL . . . . . 0.842 HG11 ' CD1' ' A' ' 39' ' ' ILE . 33.2 t -115.14 123.33 70.67 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.131 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 7.1 m -128.58 106.58 9.06 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 120.837 0.351 . . . . 0.0 111.155 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.636 ' CD2' HG12 ' B' ' 3' ' ' VAL . 3.8 mm? -98.36 160.47 14.26 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.773 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 18.4 t -125.72 99.42 5.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-O 120.83 0.348 . . . . 0.0 111.171 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.44 ' HB3' ' O ' ' A' ' 70' ' ' GLY . 17.5 ttmt . . . . . 0 N--CA 1.464 0.23 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.841 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 . . . . . 0 CA--C 1.53 0.178 0 CA-C-O 120.763 0.315 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 14' ' ' TYR . . . . . 0.66 ' HB3' HD23 ' B' ' 16' ' ' LEU . 72.5 m-85 -74.3 -38.85 63.24 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.555 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.62 27.56 72.31 Favored Glycine 0 CA--C 1.522 0.483 0 C-N-CA 120.935 -0.65 . . . . 0.0 113.142 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.66 HD23 ' HB3' ' B' ' 14' ' ' TYR . 3.0 pp -110.2 120.5 42.64 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.956 0.378 . . . . 0.0 110.601 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.55 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 16.1 ttt-85 -77.82 123.32 26.58 Favored 'General case' 0 N--CA 1.461 0.102 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.079 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.7 143.31 27.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.363 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.627 ' HA ' HD11 ' A' ' 58' ' ' LEU . . . -148.24 175.05 11.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.818 179.465 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 87.5 p -142.71 153.95 43.84 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.057 0.456 . . . . 0.0 111.902 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' HIS . . . . . 0.47 ' HD2' ' CE1' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -125.5 176.27 6.95 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.646 179.891 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.416 HG13 ' HB ' ' B' ' 53' ' ' THR . 44.7 mm -129.08 139.17 52.56 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.071 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.503 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 10.2 p90 -144.61 178.42 7.98 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 120.895 0.379 . . . . 0.0 111.327 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 17.6 t -105.66 112.78 40.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.021 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.539 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 18.4 tptp -59.67 -39.4 84.35 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.17 179.629 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -177.8 173.93 1.52 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.929 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' ILE . . . . . 0.467 HG21 ' HB3' ' B' ' 33' ' ' ALA . 3.4 mp -129.71 137.76 55.9 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.882 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 6.2 t -73.22 149.36 42.91 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.244 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 6.0 pm0 -74.87 148.91 39.77 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.049 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 58.07 31.03 20.16 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.393 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 12.0 p -101.46 177.67 4.86 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 120.749 0.309 . . . . 0.0 111.013 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.478 HD11 ' HA ' ' A' ' 7' ' ' LYS . 48.8 mt -59.49 -37.51 78.46 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.621 179.583 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.467 ' HB3' HG21 ' B' ' 27' ' ' ILE . . . -69.57 -35.97 75.87 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.992 179.135 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.32 -47.53 85.06 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.05 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 3.2 mmt180 -70.35 -36.43 74.19 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.586 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -67.89 -38.8 83.47 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.169 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.72 36.3 93.1 Favored Glycine 0 C--N 1.335 0.5 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.897 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.764 ' HB3' HG22 ' A' ' 3' ' ' VAL . 30.7 m-20 -113.63 -37.79 4.49 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -179.639 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' ILE . . . . . 0.715 HG13 HG11 ' A' ' 3' ' ' VAL . 3.1 mt -91.91 134.4 30.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-O 120.684 0.278 . . . . 0.0 111.392 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -129.93 148.2 51.77 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.16 121.82 11.63 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.803 0.335 . . . . 0.0 111.001 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.52 -20.08 37.9 Favored Glycine 0 CA--C 1.522 0.503 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.779 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -55.66 135.69 51.08 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.767 0.318 . . . . 0.0 111.162 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 20.4 t -96.63 123.12 48.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.138 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 21.3 t -90.48 140.21 16.31 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.243 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.567 HD11 ' N ' ' B' ' 77' ' ' GLN . 1.1 mp -109.67 -40.09 4.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -139.01 149.03 44.2 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.786 0.327 . . . . 0.0 111.285 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.653 HD12 HG21 ' B' ' 53' ' ' THR . 29.3 mt -137.33 122.48 25.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.467 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 58.33 35.06 24.58 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.177 -179.537 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.95 28.96 59.71 Favored Glycine 0 C--N 1.335 0.504 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.774 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -141.15 130.77 24.04 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.667 0.233 . . . . 0.0 110.609 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.634 HG12 ' H ' ' B' ' 54' ' ' GLU . 15.8 t -67.61 140.41 19.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.629 179.679 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.653 HG21 HD12 ' B' ' 48' ' ' ILE . 0.0 OUTLIER -118.44 26.76 9.37 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.426 179.845 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 54' ' ' GLU . . . . . 0.634 ' H ' HG12 ' B' ' 52' ' ' VAL . 0.2 OUTLIER -88.03 151.16 22.96 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 120.739 0.304 . . . . 0.0 110.43 179.204 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 51.84 16.18 0.47 Allowed 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.557 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 1.6 ttm -99.03 162.11 13.25 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.778 0.323 . . . . 0.0 110.724 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 30.9 t -71.94 145.83 48.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.632 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.401 HD22 ' HB3' ' A' ' 55' ' ' ASN . 46.9 tp -56.93 -31.95 65.47 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.907 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.1 -38.47 89.02 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.584 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -58.44 -44.74 89.29 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.706 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.16 -38.73 71.28 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.727 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -65.09 -41.33 95.07 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.541 179.303 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.13 -41.55 96.93 Favored 'General case' 0 C--N 1.334 -0.085 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.17 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.89 -39.75 66.03 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.747 0.308 . . . . 0.0 110.652 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 36.7 mt -76.58 -32.37 21.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -73.97 -38.53 64.15 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.798 0.332 . . . . 0.0 110.711 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.87 -21.11 60.21 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.757 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 43.5 p -55.96 116.23 2.86 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.088 0.471 . . . . 0.0 111.201 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -46.73 78.13 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.622 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 70' ' ' GLY . . . . . 0.525 ' HA2' ' HG3' ' A' ' 7' ' ' LYS . . . -160.23 -60.06 0.01 OUTLIER Glycine 0 C--N 1.333 0.367 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.602 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 71' ' ' LYS . . . . . 0.579 ' HD2' HG22 ' A' ' 6' ' ' VAL . 1.0 OUTLIER -87.22 114.22 23.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.806 0.336 . . . . 0.0 110.925 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.911 HD12 ' CE2' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -101.39 143.0 31.95 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.017 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -125.75 122.57 36.63 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.639 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.443 ' HG3' HG23 ' B' ' 48' ' ' ILE . 2.2 mtp -127.1 132.84 50.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.899 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.498 ' O ' HD12 ' B' ' 46' ' ' LEU . 21.7 t -107.0 116.27 50.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.996 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 24.8 t -105.23 149.13 8.89 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.061 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 77' ' ' GLN . . . . . 0.567 ' N ' HD11 ' B' ' 46' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.233 0.217 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.847 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.8 tttt . . . . . 0 C--O 1.234 0.285 0 CA-C-O 120.801 0.334 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.763 HG22 ' HB3' ' B' ' 38' ' ' ASN . 27.2 t -116.44 125.64 73.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -129.16 105.42 8.16 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.647 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.466 HD23 ' CG ' ' B' ' 36' ' ' ASP . 60.6 mt -103.33 157.01 17.32 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.05 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 20.7 t -129.04 104.18 10.71 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.397 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.406 ' HE3' ' CE2' ' A' ' 14' ' ' TYR . 6.5 ttmt . . . . . 0 C--O 1.232 0.168 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.715 0.293 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.646 ' CE2' HD12 ' B' ' 72' ' ' LEU . 27.4 m-85 -58.81 -41.81 87.7 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.057 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.54 51.37 43.83 Favored Glycine 0 C--N 1.337 0.589 0 C-N-CA 121.271 -0.49 . . . . 0.0 112.677 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.605 HD23 ' HB3' ' A' ' 14' ' ' TYR . 2.7 pp -121.39 121.61 37.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.924 0.392 . . . . 0.0 111.293 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.462 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -77.98 124.2 27.73 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.263 179.476 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.72 160.52 21.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.984 0.421 . . . . 0.0 111.452 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.675 ' HB3' ' CZ ' ' B' ' 23' ' ' PHE . . . -155.15 179.33 9.25 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.941 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.8 p -129.95 151.95 49.95 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.86 0.362 . . . . 0.0 111.511 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -123.69 177.33 5.75 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.963 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 31.0 mm -134.27 145.14 33.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 120.961 0.41 . . . . 0.0 111.199 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.735 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 17.6 p90 -148.01 174.92 11.43 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.91 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 43' ' ' ASP . 37.6 t -95.26 122.87 47.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.949 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.57 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 42.9 tptt -73.41 -46.3 49.5 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.216 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.531 ' C ' HD13 ' A' ' 27' ' ' ILE . 10.7 pt-20 -173.75 175.96 2.79 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.786 0.327 . . . . 0.0 111.078 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.531 HD13 ' C ' ' A' ' 26' ' ' GLU . 1.7 mm -121.18 144.68 29.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.677 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.9 t -90.7 139.89 30.3 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.943 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -73.88 146.52 44.0 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.612 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 57.96 48.42 13.37 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.016 0.436 . . . . 0.0 110.713 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.2 m -133.64 175.28 9.58 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.207 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.677 HD12 ' HA ' ' B' ' 14' ' ' TYR . 41.7 mt -58.44 -38.45 77.49 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.239 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.603 ' HB2' HD12 ' A' ' 39' ' ' ILE . . . -64.96 -47.69 76.7 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.222 179.722 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.0 76.86 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.222 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.36 -42.91 58.56 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.133 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.89 -37.51 81.84 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.689 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.56 32.46 74.95 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.674 -179.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.732 ' CB ' HG13 ' B' ' 3' ' ' VAL . 17.3 m-80 -114.0 -41.63 3.51 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.554 0.216 . . . . 0.0 111.239 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.763 ' CG1' HG11 ' B' ' 3' ' ' VAL . 15.8 mt -81.57 123.52 37.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.917 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.416 ' CA ' HD11 ' A' ' 27' ' ' ILE . 7.2 tp60 -138.12 149.84 46.29 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.859 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.41 ' HB3' ' HA ' ' A' ' 26' ' ' GLU . 14.2 pt-20 -58.89 131.59 51.44 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.733 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.55 -23.02 36.5 Favored Glycine 0 CA--C 1.521 0.433 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.896 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.554 ' HB3' HG11 ' A' ' 76' ' ' VAL . 3.1 m-20 -56.03 117.02 3.33 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.811 0.305 . . . . 0.0 110.937 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.2 t -81.85 102.2 7.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.96 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.568 ' HA ' HG12 ' A' ' 76' ' ' VAL . 21.3 t -82.35 131.52 33.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.543 -179.554 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.634 HD23 ' HG3' ' A' ' 47' ' ' LYS . 9.2 tt -110.62 -40.09 4.7 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.172 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.634 ' HG3' HD23 ' A' ' 46' ' ' LEU . 43.5 mttt -127.54 145.77 50.74 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.744 0.306 . . . . 0.0 111.653 -179.501 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.9 mt -132.1 123.15 50.28 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.745 179.39 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 43.81 35.93 1.2 Allowed 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.054 0.542 . . . . 0.0 111.912 -179.362 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 85.03 38.5 9.19 Favored Glycine 0 C--N 1.335 0.498 0 C-N-CA 120.871 -0.68 . . . . 0.0 113.005 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.6 123.65 8.15 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.872 0.336 . . . . 0.0 110.546 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.703 HG12 ' H ' ' A' ' 54' ' ' GLU . 21.7 t -66.97 140.89 18.67 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.625 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -117.03 26.67 9.63 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.214 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.703 ' H ' HG12 ' A' ' 52' ' ' VAL . 0.4 OUTLIER -91.8 149.97 21.32 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.787 0.327 . . . . 0.0 110.546 179.234 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.541 ' O ' HD22 ' B' ' 58' ' ' LEU . 1.5 p-10 50.42 19.61 0.57 Allowed 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.449 -0.796 . . . . 0.0 112.272 -179.289 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.6 tpp -102.86 165.88 10.79 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.85 0.357 . . . . 0.0 110.692 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 57.8 p -73.27 138.28 45.41 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.595 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.604 HD22 ' HA ' ' B' ' 55' ' ' ASN . 25.2 tp -55.89 -36.17 67.33 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.588 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.88 -43.4 94.78 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.73 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.1 -41.77 84.25 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.545 179.438 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.74 -38.4 75.28 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.359 179.124 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -65.86 -37.92 87.45 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.25 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.64 -41.03 84.52 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.865 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.5 mt -54.4 -37.74 65.39 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.742 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 22.1 mt -75.78 -30.72 21.64 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.962 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -72.03 -55.8 6.76 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 120.758 0.313 . . . . 0.0 110.955 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -61.28 -25.37 67.05 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.582 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.81 113.46 1.33 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.806 0.336 . . . . 0.0 111.186 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.17 121.3 44.95 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.02 -138.63 14.42 Favored Glycine 0 C--N 1.333 0.387 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.872 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.498 ' CE ' HG22 ' B' ' 6' ' ' VAL . 4.3 tttt -70.06 129.35 39.21 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 120.659 0.266 . . . . 0.0 110.873 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.752 HD12 ' CE2' ' B' ' 14' ' ' TYR . 0.6 OUTLIER -105.99 147.91 28.3 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.213 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.631 ' HG3' HG23 ' B' ' 4' ' ' THR . 13.2 mttt -127.09 135.19 50.41 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.705 179.487 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 7.8 mtm -139.45 118.27 12.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.693 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.7 t -98.14 119.26 45.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.958 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.568 HG12 ' HA ' ' A' ' 45' ' ' VAL . 30.2 m -115.08 164.84 11.1 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.71 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.233 0.226 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.094 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 19.7 m . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 120.727 0.299 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 25.8 mttp -105.56 124.37 49.45 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.043 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' VAL . . . . . 0.763 HG11 ' CG1' ' A' ' 39' ' ' ILE . 26.6 t -104.03 126.34 58.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.962 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 4' ' ' THR . . . . . 0.631 HG23 ' HG3' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -128.93 108.1 10.15 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 120.715 0.293 . . . . 0.0 111.341 -179.632 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.691 HD21 HD11 ' A' ' 39' ' ' ILE . 2.7 mm? -101.17 157.72 16.56 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.027 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 6' ' ' VAL . . . . . 0.498 HG22 ' CE ' ' A' ' 71' ' ' LYS . 6.6 t -120.11 103.2 13.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 CA-C-O 120.715 0.293 . . . . 0.0 111.575 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.492 ' HB2' ' CZ ' ' B' ' 14' ' ' TYR . 2.4 ttmt . . . . . 0 N--CA 1.465 0.322 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.0 179.52 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 . . . . . 0 CA--C 1.532 0.263 0 CA-C-O 120.564 0.221 . . . . 0.0 110.742 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 14' ' ' TYR . . . . . 0.752 ' CE2' HD12 ' A' ' 72' ' ' LEU . 13.9 m-85 -53.71 -46.1 70.64 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.975 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.55 47.93 88.48 Favored Glycine 0 C--N 1.335 0.493 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.937 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.546 ' O ' HD12 ' B' ' 16' ' ' LEU . 3.6 pp -128.5 124.5 36.23 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.806 0.336 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.57 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -96.04 129.76 43.23 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.682 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -126.76 146.76 50.11 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.959 0.409 . . . . 0.0 111.46 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.735 ' HB3' ' CZ ' ' A' ' 23' ' ' PHE . . . -133.91 -178.71 5.15 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.8 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' SER . . . . . 0.482 ' CB ' HD13 ' A' ' 58' ' ' LEU . 93.1 p -134.05 152.74 51.97 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.017 0.437 . . . . 0.0 111.909 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -128.05 179.98 5.29 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.849 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 34.6 mm -130.24 144.33 38.32 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.139 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.675 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 6.8 p90 -149.09 174.09 12.7 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.988 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.425 HG21 HG23 ' B' ' 39' ' ' ILE . 32.7 t -101.32 119.23 49.23 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.08 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.462 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 21.1 tptm -69.13 -37.5 78.35 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.371 179.592 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -175.72 174.23 2.24 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.732 0.301 . . . . 0.0 111.128 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 3.5 mp -138.24 134.05 43.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.726 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 6.9 t -74.22 155.23 38.54 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.302 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.77 152.06 24.87 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.924 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 57.82 31.43 20.5 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.046 -179.669 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.67 175.88 5.34 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.925 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 47.7 mt -57.96 -38.52 76.16 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.586 ' CB ' HD13 ' B' ' 39' ' ' ILE . . . -66.77 -40.04 88.08 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.073 179.36 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.1 -40.53 89.97 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.07 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -73.76 -40.87 63.16 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.888 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ASP . . . . . 0.466 ' CG ' HD23 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -67.07 -34.58 77.97 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.478 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.39 29.8 75.65 Favored Glycine 0 C--N 1.335 0.475 0 C-N-CA 120.94 -0.647 . . . . 0.0 112.756 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.763 ' HB3' HG22 ' A' ' 3' ' ' VAL . 74.4 m-20 -108.71 -32.28 7.4 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 111.533 0.198 . . . . 0.0 111.533 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' ILE . . . . . 0.586 HD13 ' CB ' ' B' ' 33' ' ' ALA . 3.3 mp -96.74 105.92 17.75 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-O 120.711 0.291 . . . . 0.0 111.083 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.37 153.96 20.95 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.676 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -58.17 113.46 1.93 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.919 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.37 5.74 45.56 Favored Glycine 0 CA--C 1.525 0.668 0 C-N-CA 120.964 -0.636 . . . . 0.0 113.036 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -61.54 149.43 39.03 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.965 0.382 . . . . 0.0 110.875 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.2 t -110.74 101.7 12.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-O 120.761 0.315 . . . . 0.0 111.137 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 21.6 t -79.13 133.67 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.148 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.409 ' CD2' ' HE2' ' B' ' 47' ' ' LYS . 0.8 OUTLIER -113.65 -41.9 3.53 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.399 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 47' ' ' LYS . . . . . 0.409 ' HE2' ' CD2' ' B' ' 46' ' ' LEU . 8.1 mttm -133.22 152.07 51.94 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.624 0.249 . . . . 0.0 111.635 -179.482 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.825 HD12 HD13 ' B' ' 64' ' ' LEU . 19.8 mt -134.9 119.75 28.58 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.945 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 42.1 44.96 3.31 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.195 0.598 . . . . 0.0 111.652 -179.232 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.44 38.33 33.53 Favored Glycine 0 C--N 1.335 0.499 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.823 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.59 116.26 7.18 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.878 0.339 . . . . 0.0 110.52 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.653 HG12 ' H ' ' B' ' 54' ' ' GLU . 12.1 t -61.72 140.67 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.639 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.27 22.27 13.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.552 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 54' ' ' GLU . . . . . 0.653 ' H ' HG12 ' B' ' 52' ' ' VAL . 0.1 OUTLIER -92.32 144.57 25.26 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-O 120.81 0.338 . . . . 0.0 110.333 179.12 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 55' ' ' ASN . . . . . 0.604 ' HA ' HD22 ' A' ' 58' ' ' LEU . 5.4 m120 62.49 14.93 7.41 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.993 -179.637 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 2.4 tpp -100.64 164.75 11.74 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.84 0.352 . . . . 0.0 111.051 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.45 146.03 34.71 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.736 179.697 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.541 HD22 ' O ' ' A' ' 55' ' ' ASN . 17.0 tp -55.8 -31.83 62.99 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.934 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.92 -41.0 97.43 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.743 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -57.08 -43.9 82.62 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.676 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.76 -36.56 69.95 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.735 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -68.61 -35.28 77.11 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.608 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -70.38 -41.13 73.45 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.076 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.825 HD13 HD12 ' B' ' 48' ' ' ILE . 0.9 OUTLIER -54.7 -39.6 68.33 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.759 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 40.2 mt -72.35 -31.14 37.53 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.83 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -75.48 -46.89 29.68 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.682 0.277 . . . . 0.0 110.896 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 -59.55 -23.28 62.75 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.689 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 9.3 t -55.46 107.57 0.34 Allowed 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 120.794 0.331 . . . . 0.0 110.929 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -62.46 -38.19 88.86 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.283 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -160.48 -63.58 0.01 OUTLIER Glycine 0 C--N 1.333 0.389 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.472 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -86.6 123.67 32.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.705 0.288 . . . . 0.0 111.253 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.646 HD12 ' CE2' ' A' ' 14' ' ' TYR . 0.4 OUTLIER -107.95 120.84 43.43 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.794 179.765 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -106.51 131.03 54.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.656 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -143.23 138.62 29.78 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.8 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 21.6 t -107.04 111.22 34.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.725 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 16.0 m -110.79 149.51 13.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.39 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.179 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.791 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.7 mtmm . . . . . 0 C--O 1.234 0.241 0 CA-C-O 120.622 0.249 . . . . 0.0 110.597 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.714 HG11 ' CG1' ' B' ' 39' ' ' ILE . 32.8 t -113.65 126.46 71.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.949 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.501 HG23 ' HG3' ' B' ' 73' ' ' LYS . 0.2 OUTLIER -128.92 112.73 14.4 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.962 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 70.8 mt -109.64 156.79 19.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.96 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.6 t -125.52 101.16 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.151 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.127 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.476 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 4.7 ttmm . . . . . 0 N--CA 1.464 0.237 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.26 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 . . . . . 0 C--O 1.233 0.212 0 CA-C-O 120.799 0.333 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.895 ' HA ' HD12 ' B' ' 32' ' ' LEU . 88.4 m-85 -66.91 -34.34 77.57 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.427 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.29 41.23 92.88 Favored Glycine 0 C--N 1.334 0.469 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.642 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.567 HD12 ' O ' ' A' ' 16' ' ' LEU . 4.2 pp -116.92 136.29 53.06 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.862 0.363 . . . . 0.0 110.702 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.543 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -90.91 116.45 28.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.098 -179.634 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.707 HD11 ' CG2' ' B' ' 22' ' ' ILE . 0.3 OUTLIER -104.89 137.71 42.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.232 -179.712 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.59 ' N ' HD13 ' A' ' 18' ' ' LEU . . . -139.72 169.0 18.53 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 179.721 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.405 ' OG ' ' HA ' ' A' ' 55' ' ' ASN . 91.8 p -125.34 150.38 47.23 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.854 0.359 . . . . 0.0 111.387 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.646 ' O ' HD12 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -115.55 176.04 5.25 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.629 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.826 HG23 HD11 ' B' ' 18' ' ' LEU . 1.2 mp -132.51 132.69 60.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.805 0.336 . . . . 0.0 111.004 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.554 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 13.3 p90 -139.7 179.04 6.81 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.065 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.9 t -103.1 115.0 44.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-O 120.788 0.327 . . . . 0.0 111.305 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.595 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 27.2 tptt -66.11 -39.76 90.21 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.139 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.424 ' HG2' ' HB2' ' B' ' 17' ' ' ARG . 3.4 pt-20 -178.01 172.72 1.59 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.216 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.5 mp -130.45 137.91 55.08 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.916 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.93 152.36 22.49 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.459 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -79.57 158.08 27.22 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.973 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 61.16 29.57 18.88 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.228 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m -116.04 173.72 6.42 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.844 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.9 mt -57.58 -43.56 84.66 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.546 ' HB2' HD12 ' A' ' 39' ' ' ILE . . . -59.74 -38.23 81.16 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.292 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.87 -42.45 94.82 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.688 0.28 . . . . 0.0 110.989 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.71 -37.59 73.57 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.792 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.85 -41.56 71.3 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.37 35.47 91.47 Favored Glycine 0 CA--C 1.52 0.362 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.496 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.539 ' CB ' HG13 ' B' ' 3' ' ' VAL . 2.6 m-80 -110.3 -36.88 5.68 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 -179.668 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.546 HD12 ' HB2' ' A' ' 33' ' ' ALA . 25.1 mt -84.55 136.38 22.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.201 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -129.88 153.92 47.82 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.19 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.81 118.55 9.82 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.45 -19.14 43.17 Favored Glycine 0 CA--C 1.521 0.466 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.799 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -55.32 137.01 48.64 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.787 0.327 . . . . 0.0 111.109 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.4 t -98.29 122.09 49.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.539 HG11 ' HG2' ' A' ' 74' ' ' MET . 21.0 t -96.63 134.88 32.61 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.499 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.1 tp -98.9 -40.66 7.98 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.24 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -134.43 153.4 51.93 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.937 0.399 . . . . 0.0 111.609 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.543 HD12 HG21 ' A' ' 53' ' ' THR . 29.8 mt -141.62 118.11 7.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.448 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 58.73 39.45 24.28 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.95 25.32 71.82 Favored Glycine 0 CA--C 1.523 0.557 0 C-N-CA 120.981 -0.628 . . . . 0.0 113.27 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.61 129.2 21.46 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.998 0.399 . . . . 0.0 110.677 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.495 HG12 ' H ' ' A' ' 54' ' ' GLU . 12.8 t -71.09 137.54 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.616 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.778 ' O ' HD13 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -108.51 32.3 4.95 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.2 179.772 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.495 ' H ' HG12 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -90.57 148.92 22.38 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 120.725 0.298 . . . . 0.0 110.202 179.109 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.524 ' HB2' HD22 ' B' ' 58' ' ' LEU . 0.6 OUTLIER 51.73 18.67 0.78 Allowed 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.198 -179.247 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.4 ttm -102.07 153.31 20.04 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.753 0.311 . . . . 0.0 110.715 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.1 t -61.07 146.07 48.62 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.679 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.62 HD11 ' HA ' ' B' ' 19' ' ' ALA . 33.9 tp -54.7 -33.53 61.09 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.631 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.95 -39.56 83.41 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.554 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.39 -45.94 69.48 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.954 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.91 -40.89 77.15 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.939 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.1 mtpt -64.84 -40.12 94.65 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.557 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.81 -39.85 93.18 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.942 179.529 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.505 HD13 ' HB ' ' A' ' 48' ' ' ILE . 1.9 mt -55.63 -34.76 65.2 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.828 0.347 . . . . 0.0 110.338 179.462 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 21.9 mm -67.92 -34.32 66.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.74 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.26 -40.35 52.08 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.855 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.06 -28.85 66.84 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.547 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.2 t -60.08 103.62 0.24 Allowed 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.931 0.396 . . . . 0.0 111.057 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -31.31 71.23 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.423 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -148.8 -95.98 0.16 Allowed Glycine 0 C--N 1.335 0.503 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.774 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.88 148.67 45.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.901 0.382 . . . . 0.0 111.177 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.715 HD12 ' CZ ' ' B' ' 14' ' ' TYR . 0.5 OUTLIER -127.05 126.58 43.32 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.831 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.58 ' HG2' HG23 ' B' ' 4' ' ' THR . 11.2 mtmt -108.07 106.84 17.24 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.177 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.539 ' HG2' HG11 ' A' ' 45' ' ' VAL . 0.3 OUTLIER -113.04 122.74 48.52 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 179.669 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 37.6 t -98.47 133.29 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.865 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 7.6 m -119.04 166.4 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-O 120.867 0.365 . . . . 0.0 111.665 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 . . . . . 0 CA--C 1.532 0.253 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.992 179.792 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 120.91 0.386 . . . . 0.0 111.487 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -125.2 135.1 52.26 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.643 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' VAL . . . . . 0.66 HG12 ' CD2' ' B' ' 5' ' ' LEU . 25.7 t -118.54 127.13 75.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.765 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 4' ' ' THR . . . . . 0.58 HG23 ' HG2' ' A' ' 73' ' ' LYS . 0.7 OUTLIER -128.13 108.29 10.52 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.878 0.37 . . . . 0.0 111.366 -179.803 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.66 ' CD2' HG12 ' B' ' 3' ' ' VAL . 3.5 mm? -100.79 160.47 14.33 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.861 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 20.5 t -127.7 99.12 4.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.155 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.483 ' HB2' ' CZ ' ' B' ' 14' ' ' TYR . 11.4 ttmt . . . . . 0 N--CA 1.464 0.235 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.038 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.913 0.387 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' TYR . . . . . 0.784 ' HB3' HD23 ' B' ' 16' ' ' LEU . 32.8 m-85 -71.83 -30.97 66.04 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.522 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.56 32.32 64.68 Favored Glycine 0 C--N 1.335 0.476 0 C-N-CA 121.075 -0.583 . . . . 0.0 112.953 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.784 HD23 ' HB3' ' B' ' 14' ' ' TYR . 3.2 pp -108.77 134.3 51.67 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.764 0.316 . . . . 0.0 110.747 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.595 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 3.6 mmt180 -92.19 118.87 31.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.743 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.826 HD11 HG23 ' A' ' 22' ' ' ILE . 0.4 OUTLIER -102.05 126.41 48.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.62 ' HA ' HD11 ' A' ' 58' ' ' LEU . . . -121.54 173.48 7.38 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.991 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 75.1 p -127.89 146.5 50.61 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.148 0.499 . . . . 0.0 111.895 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' HIS . . . . . 0.506 ' O ' HD13 ' B' ' 22' ' ' ILE . 0.1 OUTLIER -116.44 -178.03 3.32 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.899 179.766 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.707 ' CG2' HD11 ' A' ' 18' ' ' LEU . 26.2 mm -132.23 137.43 54.58 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.206 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.526 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 11.0 p90 -149.64 179.76 7.74 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.196 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t -107.1 121.13 59.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.12 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.543 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 17.4 tptt -74.27 -39.5 62.93 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.252 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -174.08 177.37 2.35 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.909 0.385 . . . . 0.0 111.25 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 3.0 mp -131.74 137.52 54.89 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.969 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 25.3 t -78.79 158.53 28.2 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.24 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -85.19 151.61 23.97 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.902 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 58.4 34.91 24.4 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.216 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 24.3 p -114.65 174.04 6.16 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.091 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.895 HD12 ' HA ' ' A' ' 14' ' ' TYR . 4.5 mt -60.7 -42.15 96.61 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.08 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.477 ' CB ' HD12 ' B' ' 39' ' ' ILE . . . -61.02 -45.74 93.58 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.242 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.85 80.13 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.197 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 9.1 mtm180 -78.08 -39.46 41.47 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.03 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.54 -34.59 76.13 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.323 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.59 33.74 88.05 Favored Glycine 0 C--N 1.335 0.49 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.95 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.589 ' HB3' HG22 ' A' ' 3' ' ' VAL . 36.9 m-80 -110.3 -32.27 7.02 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.706 0.253 . . . . 0.0 111.552 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' ILE . . . . . 0.714 ' CG1' HG11 ' A' ' 3' ' ' VAL . 22.9 mt -92.97 137.7 21.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-O 120.733 0.301 . . . . 0.0 111.112 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -134.65 143.58 47.36 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.47 123.31 16.39 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.803 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.81 -21.35 36.55 Favored Glycine 0 CA--C 1.522 0.499 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.873 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.41 137.34 48.31 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.761 0.315 . . . . 0.0 111.303 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.2 t -95.53 123.25 47.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' VAL . . . . . 0.431 HG11 ' HG2' ' B' ' 74' ' ' MET . 22.0 t -99.15 128.81 50.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.231 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.467 ' O ' HG13 ' B' ' 52' ' ' VAL . 0.5 OUTLIER -100.15 -34.28 10.11 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.152 179.672 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 47' ' ' LYS . . . . . 0.475 ' HG3' HG22 ' B' ' 52' ' ' VAL . 6.7 mttm -134.64 153.06 52.15 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.787 0.327 . . . . 0.0 111.477 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.774 HD12 HG21 ' B' ' 53' ' ' THR . 21.0 mt -139.83 118.83 12.18 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.513 179.407 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 57.13 36.03 27.03 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.471 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.92 31.49 53.17 Favored Glycine 0 C--N 1.335 0.501 0 C-N-CA 120.916 -0.659 . . . . 0.0 113.121 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.69 123.75 8.78 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.777 0.288 . . . . 0.0 110.52 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.662 HG12 ' H ' ' B' ' 54' ' ' GLU . 17.1 t -66.29 132.02 31.88 Favored 'Isoleucine or valine' 0 C--O 1.231 0.106 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.473 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.774 HG21 HD12 ' B' ' 48' ' ' ILE . 1.0 OUTLIER -106.56 25.42 11.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.452 -179.883 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 54' ' ' GLU . . . . . 0.662 ' H ' HG12 ' B' ' 52' ' ' VAL . 1.1 tt0 -80.04 144.15 33.44 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.006 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 55' ' ' ASN . . . . . 0.483 ' O ' HD22 ' A' ' 58' ' ' LEU . 5.2 m120 62.16 15.15 7.2 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.875 -179.591 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 56' ' ' MET . . . . . 0.506 ' HE3' ' HA ' ' B' ' 53' ' ' THR . 1.3 ttm -103.16 160.28 14.79 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.785 0.326 . . . . 0.0 110.881 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.1 m -69.95 146.06 51.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.772 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.524 HD22 ' HB2' ' A' ' 55' ' ' ASN . 35.0 tp -54.88 -32.57 61.03 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.026 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 1.2 m -63.73 -37.97 89.35 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.675 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.21 -48.36 73.97 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.976 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.63 -41.61 77.43 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.62 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 23.1 mttt -62.53 -40.54 97.1 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.486 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.33 -41.89 90.17 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.618 179.488 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.729 HD13 ' HB ' ' B' ' 48' ' ' ILE . 0.6 OUTLIER -52.2 -38.04 56.71 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.698 179.48 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 22.5 mt -74.2 -31.18 28.58 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.705 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -75.76 -42.29 50.81 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.03 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.21 -7.18 59.65 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 94.0 p -55.18 115.94 2.52 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.979 0.419 . . . . 0.0 111.056 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 4.3 mmtm -78.6 74.84 5.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.307 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 82.74 -85.78 1.49 Allowed Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.882 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.36 144.23 32.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.852 0.358 . . . . 0.0 111.333 -179.577 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.408 HD12 ' CZ ' ' A' ' 14' ' ' TYR . 0.4 OUTLIER -122.79 140.42 52.93 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.903 -179.905 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 73' ' ' LYS . . . . . 0.501 ' HG3' HG23 ' A' ' 4' ' ' THR . 9.8 mttp -120.99 131.74 54.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.731 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.431 ' HG2' HG11 ' B' ' 45' ' ' VAL . 2.0 ttm -135.86 124.25 23.38 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.673 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 21.6 t -101.25 118.17 47.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.031 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 14.9 m -111.58 177.12 1.52 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.225 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 . . . . . 0 C--O 1.232 0.167 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 179.661 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.1 mptt . . . . . 0 C--O 1.233 0.193 0 CA-C-O 120.667 0.27 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.817 HG11 HG13 ' B' ' 39' ' ' ILE . 38.3 t -112.95 131.09 65.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.734 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.5 m -129.1 112.1 13.63 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-O 120.72 0.295 . . . . 0.0 111.125 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.41 ' CD1' HD23 ' A' ' 16' ' ' LEU . 46.4 mt -107.04 160.2 15.73 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.095 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.67 100.91 5.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.894 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 7.5 ttmt . . . . . 0 C--O 1.233 0.229 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.065 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.201 0 CA-C-O 120.914 0.388 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.645 ' CE2' HD12 ' B' ' 72' ' ' LEU . 62.4 m-85 -60.88 -39.73 90.35 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.308 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.74 -25.87 12.35 Favored Glycine 0 C--N 1.335 0.507 0 C-N-CA 120.905 -0.664 . . . . 0.0 113.067 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.48 ' CD1' HD13 ' A' ' 18' ' ' LEU . 2.5 pp -69.06 115.62 8.56 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.976 0.417 . . . . 0.0 111.021 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.493 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.1 OUTLIER -88.18 129.08 35.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.953 179.497 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.48 HD13 ' CD1' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -121.56 156.09 33.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.074 0.464 . . . . 0.0 111.623 -179.689 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.705 ' HB3' ' CZ ' ' B' ' 23' ' ' PHE . . . -151.82 177.39 10.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.13 -179.698 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.439 ' OG ' ' HA ' ' A' ' 55' ' ' ASN . 93.7 p -131.39 149.6 52.48 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 120.839 0.352 . . . . 0.0 111.386 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.402 ' CE1' ' CD ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -120.23 -179.9 4.09 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.789 -179.886 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 28.9 mm -127.67 140.61 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.188 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.468 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 8.1 p90 -146.91 172.86 13.03 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.258 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.557 HG21 HG23 ' A' ' 39' ' ' ILE . 21.5 t -101.14 108.55 23.61 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.86 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.555 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 9.4 tptm -59.79 -38.09 80.93 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.152 179.571 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -177.29 178.78 1.04 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.869 0.366 . . . . 0.0 111.334 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.0 mp -133.01 149.27 31.58 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.051 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.0 m -93.41 155.98 17.04 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.215 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -79.3 150.55 31.47 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.335 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.2 t70 56.39 42.29 27.82 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.908 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 73.6 m -121.24 171.2 8.89 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.079 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.474 HD11 ' HA ' ' B' ' 7' ' ' LYS . 19.9 mt -62.05 -40.18 94.87 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.263 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.1 -44.08 96.68 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.021 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.63 -39.88 91.93 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.103 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.99 -48.28 58.8 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.968 179.712 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.27 -34.02 75.75 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.44 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.2 33.89 88.12 Favored Glycine 0 C--N 1.336 0.562 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.843 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.732 ' CB ' HG13 ' B' ' 3' ' ' VAL . 76.1 m-20 -112.37 -38.47 4.67 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.609 0.242 . . . . 0.0 111.344 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.557 HG23 HG21 ' A' ' 24' ' ' VAL . 4.2 mp -93.09 105.41 16.77 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.805 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.28 150.05 28.54 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.773 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.65 127.61 32.53 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.831 0.348 . . . . 0.0 110.796 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.59 -23.58 31.0 Favored Glycine 0 CA--C 1.521 0.421 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.867 -179.293 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -56.58 146.23 25.79 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.787 0.327 . . . . 0.0 111.118 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.1 t -110.44 113.61 44.72 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.225 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.3 t -90.33 134.87 27.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.401 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.648 HD23 ' HG3' ' A' ' 47' ' ' LYS . 5.7 tt -106.03 -40.81 5.56 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.142 179.425 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.648 ' HG3' HD23 ' A' ' 46' ' ' LEU . 25.7 mttt -128.4 151.39 49.42 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.9 0.381 . . . . 0.0 111.874 -179.575 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.518 HG23 ' HG2' ' A' ' 74' ' ' MET . 39.7 mt -140.57 119.04 10.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.407 179.322 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.447 ' OD1' HD23 ' A' ' 72' ' ' LEU . 10.3 m-20 57.83 36.72 26.66 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.255 -179.304 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.32 25.65 65.47 Favored Glycine 0 CA--C 1.524 0.626 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.957 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.58 133.78 36.73 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.848 0.324 . . . . 0.0 110.524 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.643 HG12 ' H ' ' A' ' 54' ' ' GLU . 15.2 t -70.69 135.95 27.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.71 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.46 23.88 12.38 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.254 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.643 ' H ' HG12 ' A' ' 52' ' ' VAL . 0.3 OUTLIER -87.37 150.28 23.93 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 120.752 0.311 . . . . 0.0 110.47 179.387 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.825 ' HB2' HD22 ' B' ' 58' ' ' LEU . 0.7 OUTLIER 51.11 17.6 0.48 Allowed 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.64 -179.697 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.7 tpp -99.9 168.37 9.92 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.811 0.339 . . . . 0.0 110.997 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.8 p -71.48 143.32 50.07 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.607 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.545 HD22 ' HA ' ' B' ' 55' ' ' ASN . 41.5 tp -57.71 -32.92 67.86 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.962 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.88 -36.79 75.75 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.954 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -53.63 -45.19 70.07 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.44 -40.59 82.97 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.701 179.325 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 63' ' ' THR . 0.0 OUTLIER -61.95 -36.89 82.76 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.889 179.378 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.421 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 0.2 OUTLIER -63.84 -40.89 97.67 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.981 179.476 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.8 -36.12 64.61 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.755 0.312 . . . . 0.0 110.366 179.263 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 17.4 mm -67.72 -33.05 59.43 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.946 179.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -76.76 -49.84 14.98 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.156 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -61.73 -25.05 67.2 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.314 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.407 ' OG ' ' HG ' ' A' ' 72' ' ' LEU . 3.5 m -51.66 111.34 0.58 Allowed 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.812 0.339 . . . . 0.0 111.191 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt -78.25 78.39 4.72 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.049 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 79.21 -73.52 2.34 Favored Glycine 0 C--N 1.334 0.454 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.675 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 24.5 tttt -79.65 134.54 36.44 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.855 0.359 . . . . 0.0 111.3 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.469 HD12 ' CZ ' ' B' ' 14' ' ' TYR . 0.5 OUTLIER -117.09 135.4 53.77 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.811 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.3 mttp -117.65 132.33 56.51 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.612 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.518 ' HG2' HG23 ' A' ' 48' ' ' ILE . 8.1 mtm -145.41 133.87 21.94 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.971 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.3 t -107.71 125.44 64.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.779 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.5 t -100.16 140.35 19.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.266 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.234 0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.227 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 48.2 m . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 120.684 0.278 . . . . 0.0 111.401 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -123.99 139.82 53.57 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' VAL . . . . . 0.732 HG13 ' CB ' ' A' ' 38' ' ' ASN . 21.5 t -126.99 123.76 63.17 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.911 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.01 105.68 8.36 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.846 179.6 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.536 HD11 HD13 ' A' ' 39' ' ' ILE . 73.0 mt -96.89 150.84 20.28 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.69 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 6' ' ' VAL . . . . . 0.458 ' O ' HD22 ' A' ' 32' ' ' LEU . 25.0 t -122.8 101.81 10.4 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.938 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.474 ' HA ' HD11 ' A' ' 32' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.233 0.219 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.309 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.727 0.298 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 14' ' ' TYR . . . . . 0.771 ' HB3' HD23 ' B' ' 16' ' ' LEU . 50.6 m-85 -60.09 -29.76 68.79 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.375 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.87 49.97 56.43 Favored Glycine 0 C--N 1.338 0.651 0 C-N-CA 121.306 -0.473 . . . . 0.0 112.835 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.771 HD23 ' HB3' ' B' ' 14' ' ' TYR . 2.4 pp -120.39 123.57 43.38 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.921 0.391 . . . . 0.0 111.199 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.555 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -80.75 107.88 13.94 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.539 179.839 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.766 HD23 ' CD1' ' B' ' 16' ' ' LEU . 0.2 OUTLIER -91.25 147.89 22.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.394 -179.627 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.489 ' HA ' HD11 ' A' ' 58' ' ' LEU . . . -154.48 171.25 19.69 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.096 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 84.8 p -135.84 153.96 51.33 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.967 0.413 . . . . 0.0 111.844 -179.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -127.85 178.4 6.19 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 21.5 mm -127.26 141.44 46.31 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.22 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.705 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 8.5 p90 -148.23 175.07 11.37 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 40.0 t -93.75 123.35 45.82 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.709 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.493 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 21.5 tptt -71.72 -43.1 66.46 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.536 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -178.73 176.29 0.98 Allowed 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.748 0.309 . . . . 0.0 111.16 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 4.1 mm -121.38 131.34 73.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.68 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 57.7 m -83.6 137.16 33.95 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.42 146.65 46.82 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.818 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 58.19 41.25 23.96 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.84 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.12 179.66 4.96 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.75 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.611 HD12 ' HA ' ' A' ' 14' ' ' TYR . 51.5 mt -60.33 -36.35 77.76 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.3 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.47 -39.24 91.75 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.244 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.71 -42.82 81.34 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.123 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 27.2 mtt-85 -66.3 -45.76 79.28 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.658 179.415 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.75 -40.49 84.09 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.144 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.22 37.31 94.68 Favored Glycine 0 C--N 1.335 0.527 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.69 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.515 ' CB ' HG13 ' A' ' 3' ' ' VAL . 13.7 m-80 -113.72 -36.31 4.9 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' ILE . . . . . 0.817 HG13 HG11 ' A' ' 3' ' ' VAL . 3.1 mp -87.17 134.58 27.28 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-O 120.71 0.29 . . . . 0.0 111.114 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -123.27 152.82 40.98 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.907 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.93 121.32 17.12 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.665 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.87 -16.76 50.47 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 120.876 -0.678 . . . . 0.0 113.124 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.9 134.03 42.92 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.923 0.361 . . . . 0.0 111.233 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 27.7 t -90.35 108.73 19.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.847 0.356 . . . . 0.0 110.931 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' VAL . . . . . 0.675 HG22 HG12 ' B' ' 76' ' ' VAL . 24.4 t -88.29 127.13 41.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.227 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.5 -43.64 7.88 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.005 179.495 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 47' ' ' LYS . . . . . 0.522 ' CG ' HG22 ' B' ' 52' ' ' VAL . 0.0 OUTLIER -134.92 160.17 39.13 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 120.983 0.42 . . . . 0.0 111.966 -179.859 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.581 HD13 HD13 ' B' ' 64' ' ' LEU . 3.7 mp -132.32 115.86 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.507 179.221 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 44.74 34.51 1.19 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.176 0.59 . . . . 0.0 111.885 -179.172 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.46 40.74 5.31 Favored Glycine 0 C--N 1.335 0.48 0 C-N-CA 120.903 -0.665 . . . . 0.0 113.21 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -156.24 118.07 3.95 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.875 0.337 . . . . 0.0 110.583 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.557 HG12 ' H ' ' B' ' 54' ' ' GLU . 23.6 t -77.23 137.95 21.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.546 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.432 ' OG1' HD11 ' B' ' 48' ' ' ILE . 0.8 OUTLIER -113.47 33.65 5.0 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.582 -179.837 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 54' ' ' GLU . . . . . 0.557 ' H ' HG12 ' B' ' 52' ' ' VAL . 0.1 OUTLIER -88.19 139.56 30.38 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.858 0.361 . . . . 0.0 110.37 179.288 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 55' ' ' ASN . . . . . 0.545 ' HA ' HD22 ' A' ' 58' ' ' LEU . 20.1 m-20 64.82 15.58 9.93 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.081 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -103.9 -178.14 3.57 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.8 0.333 . . . . 0.0 110.965 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.98 145.94 24.0 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.835 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.825 HD22 ' HB2' ' A' ' 55' ' ' ASN . 9.9 tp -56.23 -30.58 62.56 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.854 179.66 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.99 -40.69 90.01 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.823 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.04 -42.49 90.36 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.627 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.83 -39.5 77.78 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.428 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 18.7 mtmt -63.59 -36.62 84.42 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.392 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.96 -39.97 94.29 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.97 179.483 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.581 HD13 HD13 ' B' ' 48' ' ' ILE . 2.1 mt -56.18 -35.22 66.99 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.755 0.312 . . . . 0.0 110.712 179.601 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 17.6 mt -77.99 -29.27 15.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.968 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.57 -47.23 19.96 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.773 0.32 . . . . 0.0 111.002 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -62.12 -21.43 65.01 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.107 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 60.3 p -55.03 105.25 0.15 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 120.963 0.411 . . . . 0.0 110.914 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -33.88 72.42 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.544 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -164.28 -70.67 0.02 OUTLIER Glycine 0 C--N 1.334 0.449 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.354 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 ptpp? -83.62 140.28 32.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.807 0.337 . . . . 0.0 111.033 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.645 HD12 ' CE2' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -118.73 146.2 44.94 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.787 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 7.8 mtmt -126.95 135.57 51.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.657 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -139.24 126.88 21.84 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 22.0 t -109.16 111.06 34.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.675 HG12 HG22 ' B' ' 45' ' ' VAL . 36.0 m -105.1 164.37 4.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.307 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.213 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.8 ptmm? . . . . . 0 CA--C 1.53 0.21 0 CA-C-O 120.677 0.275 . . . . 0.0 111.395 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.706 HG13 ' HB3' ' B' ' 38' ' ' ASN . 32.0 t -114.6 131.33 67.04 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.874 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.515 ' C ' HD22 ' A' ' 5' ' ' LEU . 3.0 m -129.05 123.61 32.73 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.71 0.29 . . . . 0.0 111.424 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.515 HD22 ' C ' ' A' ' 4' ' ' THR . 4.0 mm? -117.22 160.29 21.3 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.79 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.499 HG22 ' HG2' ' B' ' 71' ' ' LYS . 17.0 t -127.02 98.74 4.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.038 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.513 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 15.4 ttmt . . . . . 0 N--CA 1.465 0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.082 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.737 0.303 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.874 ' HA ' HD12 ' B' ' 32' ' ' LEU . 83.7 m-85 -75.61 -24.43 56.52 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.553 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.39 30.33 41.4 Favored Glycine 0 C--N 1.336 0.54 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.786 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.494 HD23 ' HB3' ' A' ' 14' ' ' TYR . 2.7 pp -120.37 120.91 37.34 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.834 0.35 . . . . 0.0 110.778 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.441 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -73.41 122.6 22.34 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.773 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.751 HD11 HG23 ' B' ' 22' ' ' ILE . 0.9 OUTLIER -100.88 135.53 42.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.305 -179.603 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.622 ' N ' HD13 ' A' ' 18' ' ' LEU . . . -134.84 170.95 15.09 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.662 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.4 p -134.58 150.55 50.73 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.961 0.41 . . . . 0.0 111.944 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.409 ' O ' HD13 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -117.99 177.61 4.72 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.87 179.85 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.661 ' CG2' HD11 ' B' ' 18' ' ' LEU . 33.4 mm -133.47 137.4 53.07 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 120.687 0.28 . . . . 0.0 111.243 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.47 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 6.1 p90 -149.5 -179.06 6.79 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.315 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 25.3 t -107.54 114.94 47.59 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.911 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.514 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 15.7 tptm -65.36 -40.05 93.11 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.289 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -174.92 176.37 2.18 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.907 0.384 . . . . 0.0 111.089 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.405 ' CG2' ' HB3' ' A' ' 33' ' ' ALA . 2.9 mt -131.13 134.67 61.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.985 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.7 m -75.23 149.11 38.98 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.187 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -79.11 152.51 30.75 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.947 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 59.45 28.19 17.5 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.525 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.29 175.17 5.58 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.785 0.326 . . . . 0.0 110.908 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.442 HD12 ' N ' ' B' ' 14' ' ' TYR . 25.9 mt -58.03 -35.62 71.57 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.319 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.405 ' HB3' ' CG2' ' A' ' 27' ' ' ILE . . . -65.31 -43.12 92.06 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.642 -0.253 . . . . 0.0 111.273 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.88 -39.74 90.36 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.173 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -74.49 -43.49 55.76 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.957 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -64.27 -36.65 84.8 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.387 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.78 45.87 93.27 Favored Glycine 0 C--N 1.335 0.519 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.803 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.66 ' CB ' HG13 ' B' ' 3' ' ' VAL . 10.4 m-80 -125.53 -46.72 1.74 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.457 0.17 . . . . 0.0 111.279 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.691 ' CD1' HG11 ' B' ' 3' ' ' VAL . 30.5 mm -72.69 136.23 26.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-O 120.771 0.32 . . . . 0.0 111.152 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.43 141.44 45.43 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.565 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.07 127.98 33.94 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.992 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.29 -22.3 39.64 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.837 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.8 138.97 55.09 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.822 0.344 . . . . 0.0 111.138 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 22.6 t -94.04 119.51 42.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.236 -179.528 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.687 ' HA ' HG12 ' A' ' 76' ' ' VAL . 21.3 t -92.04 114.77 29.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.972 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.5 mp -83.48 -46.62 12.26 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.001 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -131.01 157.43 43.02 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.34 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.75 ' HB ' HD13 ' A' ' 64' ' ' LEU . 31.4 mt -139.02 121.51 17.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.593 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 58.34 32.08 21.64 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.245 -179.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.57 34.74 27.6 Favored Glycine 0 C--N 1.337 0.609 0 C-N-CA 120.996 -0.621 . . . . 0.0 113.065 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.02 125.81 9.69 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.861 0.331 . . . . 0.0 110.744 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.535 HG12 ' H ' ' A' ' 54' ' ' GLU . 17.3 t -67.44 137.75 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.645 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.47 ' HB ' HG13 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -119.79 33.08 5.76 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.473 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.535 ' H ' HG12 ' A' ' 52' ' ' VAL . 1.9 tt0 -93.32 142.77 26.95 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.779 0.323 . . . . 0.0 110.428 179.187 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 66.89 9.39 6.79 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.282 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.3 ttm -103.12 175.98 5.3 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.745 0.307 . . . . 0.0 110.601 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.0 p -75.2 139.34 42.57 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.301 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.764 HD22 ' HA ' ' B' ' 55' ' ' ASN . 62.2 tp -54.47 -33.87 60.47 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.915 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.87 -42.76 94.42 Favored 'General case' 0 C--O 1.227 -0.106 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.058 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.77 -48.83 66.54 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.651 0.263 . . . . 0.0 110.719 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.23 -39.22 82.07 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.29 178.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 63' ' ' THR . 0.0 OUTLIER -64.74 -37.4 87.49 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.384 178.896 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.415 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 0.2 OUTLIER -64.65 -40.76 96.01 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.891 179.542 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.75 HD13 ' HB ' ' A' ' 48' ' ' ILE . 3.1 mt -55.1 -34.95 64.11 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.753 0.311 . . . . 0.0 110.354 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 17.0 mm -68.23 -33.48 60.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.648 178.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -76.2 -40.83 51.33 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.802 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -57.9 -31.82 67.13 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.373 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.402 ' CB ' ' HG ' ' A' ' 72' ' ' LEU . 8.0 t -61.18 109.85 1.23 Allowed 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.745 0.307 . . . . 0.0 110.864 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -97.82 29.4 3.42 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.311 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 165.54 -90.38 0.1 Allowed Glycine 0 C--N 1.336 0.582 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.451 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.93 135.04 33.44 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.965 0.412 . . . . 0.0 111.545 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.861 HD12 ' CE2' ' B' ' 14' ' ' TYR . 0.4 OUTLIER -117.69 146.08 43.97 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.623 179.662 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.5 mttp -125.97 133.92 51.67 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.648 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.471 ' HG3' HG23 ' A' ' 48' ' ' ILE . 0.4 OUTLIER -143.68 126.87 16.57 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.77 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 32.5 t -108.18 116.24 51.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.894 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.687 HG12 ' HA ' ' A' ' 45' ' ' VAL . 28.5 m -121.01 167.13 14.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.777 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.234 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.056 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 120.515 0.198 . . . . 0.0 111.247 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.13 120.33 41.95 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.009 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 3' ' ' VAL . . . . . 0.691 HG11 ' CD1' ' A' ' 39' ' ' ILE . 21.3 t -103.57 130.36 54.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.981 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 1.3 m -128.68 105.83 8.53 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.786 0.327 . . . . 0.0 110.734 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 85.2 mt -98.14 158.76 15.36 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 22.8 t -130.68 101.59 5.8 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 CA-C-O 120.975 0.417 . . . . 0.0 111.224 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.464 ' HB2' ' CE1' ' B' ' 14' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.061 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 . . . . . 0 CA--C 1.534 0.334 0 CA-C-O 120.614 0.245 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 14' ' ' TYR . . . . . 0.861 ' CE2' HD12 ' A' ' 72' ' ' LEU . 45.2 m-85 -52.87 -43.45 66.12 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.253 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.88 40.45 90.21 Favored Glycine 0 C--N 1.337 0.6 0 C-N-CA 121.223 -0.513 . . . . 0.0 112.969 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.715 HD23 ' HB3' ' B' ' 14' ' ' TYR . 2.7 pp -106.03 120.28 41.37 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.974 0.416 . . . . 0.0 110.951 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.514 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -76.27 111.51 11.78 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.6 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.661 HD11 ' CG2' ' A' ' 22' ' ' ILE . 0.2 OUTLIER -97.04 141.04 30.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.289 -179.456 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.516 ' N ' HD13 ' B' ' 18' ' ' LEU . . . -144.48 166.37 25.33 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.962 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 20' ' ' SER . . . . . 0.548 ' HB3' HD13 ' A' ' 58' ' ' LEU . 79.4 p -130.84 149.79 52.31 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.875 0.369 . . . . 0.0 111.596 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -115.12 179.95 3.81 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.772 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.751 HG23 HD11 ' A' ' 18' ' ' LEU . 31.1 mm -133.58 139.92 47.82 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 CA-C-O 120.725 0.298 . . . . 0.0 111.375 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.419 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 10.2 p90 -149.62 176.75 10.37 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.092 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.9 t -100.75 113.46 36.72 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.026 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.511 ' HB2' ' HB2' ' A' ' 19' ' ' ALA . 9.7 tptp -65.64 -34.71 78.86 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.425 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -177.82 173.12 1.61 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.79 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 3.1 mp -137.5 136.35 46.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.917 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 1.5 m -79.8 155.81 27.7 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.196 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -79.15 158.9 27.64 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.867 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 58.78 30.62 20.27 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.243 -179.577 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 3.2 m -109.92 172.02 7.11 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.975 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.874 HD12 ' HA ' ' A' ' 14' ' ' TYR . 4.4 mt -59.18 -42.45 90.88 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.848 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.558 ' HB1' ' HB ' ' B' ' 39' ' ' ILE . . . -65.39 -43.71 89.78 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.156 179.443 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.4 -37.18 77.35 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.137 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -79.55 -39.61 31.45 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.017 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.0 -35.39 80.56 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.409 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.83 37.01 91.98 Favored Glycine 0 C--N 1.336 0.532 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.457 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.706 ' HB3' HG13 ' A' ' 3' ' ' VAL . 2.7 m-80 -122.1 -45.84 2.22 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.454 0.169 . . . . 0.0 111.3 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' ILE . . . . . 0.558 ' HB ' ' HB1' ' B' ' 33' ' ' ALA . 31.6 mt -83.33 114.39 23.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -119.55 159.1 24.98 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.975 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -62.81 123.45 18.48 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.712 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.01 -18.1 50.48 Favored Glycine 0 CA--C 1.523 0.533 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.845 -179.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -55.09 117.98 3.94 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.778 0.323 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.2 t -85.7 113.92 24.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.0 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' VAL . . . . . 0.449 ' HA ' HG12 ' B' ' 76' ' ' VAL . 18.6 t -88.7 121.73 39.25 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -89.49 -47.14 8.19 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.708 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' LYS . . . . . 0.432 ' HG3' ' HA ' ' B' ' 52' ' ' VAL . 0.0 OUTLIER -135.5 155.88 49.8 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.164 -179.823 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 29.8 mt -132.82 123.18 48.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.927 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 43.79 40.87 3.36 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.065 0.546 . . . . 0.0 111.683 -179.372 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.57 35.3 36.98 Favored Glycine 0 CA--C 1.521 0.455 0 C-N-CA 120.907 -0.664 . . . . 0.0 113.05 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.37 123.25 12.71 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.763 0.282 . . . . 0.0 110.319 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.652 HG12 ' H ' ' B' ' 54' ' ' GLU . 10.2 t -67.1 132.98 32.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.528 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.43 18.83 21.06 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.531 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 54' ' ' GLU . . . . . 0.652 ' H ' HG12 ' B' ' 52' ' ' VAL . 0.0 OUTLIER -80.98 150.76 28.79 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.345 179.158 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 55' ' ' ASN . . . . . 0.764 ' HA ' HD22 ' A' ' 58' ' ' LEU . 0.3 OUTLIER 55.63 13.69 1.06 Allowed 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.477 -179.307 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 1.7 ttm -95.18 139.2 31.84 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.609 0.242 . . . . 0.0 110.64 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 2.9 m -60.56 144.72 50.94 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.712 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 58.1 tp -53.84 -32.92 54.6 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.851 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.51 -41.94 65.36 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.518 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -60.09 -40.11 88.46 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.534 179.333 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.73 -37.9 74.38 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 5.9 mmmt -60.85 -34.08 74.04 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.649 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.41 -40.04 95.01 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.087 179.564 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 2.9 mt -55.7 -34.59 65.21 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.828 0.347 . . . . 0.0 110.52 179.261 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' ILE . . . . . 0.625 ' HA ' HD11 ' B' ' 72' ' ' LEU . 37.5 mt -72.1 -32.24 42.78 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.905 179.186 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -76.98 -48.42 18.07 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.785 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -16.68 61.01 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.76 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 31.3 t -50.36 114.6 1.16 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.737 0.303 . . . . 0.0 111.108 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.56 75.24 3.27 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.602 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 85.61 -90.89 1.67 Allowed Glycine 0 C--N 1.333 0.405 0 C-N-CA 121.001 -0.618 . . . . 0.0 112.771 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' LYS . . . . . 0.499 ' HG2' HG22 ' A' ' 6' ' ' VAL . 0.9 OUTLIER -77.94 147.68 34.86 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.747 0.308 . . . . 0.0 111.278 -179.836 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.735 HD12 ' CE1' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -124.78 129.53 50.63 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.963 179.848 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -106.47 132.68 52.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.435 179.424 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 4.5 mtp -133.25 119.09 19.36 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.822 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 25.3 t -99.02 117.57 44.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.979 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.449 HG12 ' HA ' ' B' ' 45' ' ' VAL . 27.8 m -117.19 167.75 9.84 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.402 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 . . . . . 0 C--O 1.233 0.217 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.959 179.788 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.142 0 CA-C-O 120.708 0.29 . . . . 0.0 110.671 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.884 HG11 HD11 ' B' ' 39' ' ' ILE . 22.8 t -110.52 123.1 66.12 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.031 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.42 HG21 ' HE3' ' B' ' 71' ' ' LYS . 8.9 m -128.93 107.2 9.44 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.856 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.6 mt -104.94 138.57 40.96 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.409 ' O ' HD22 ' B' ' 32' ' ' LEU . 22.5 t -110.29 101.78 13.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-O 120.863 0.363 . . . . 0.0 111.189 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.461 ' HB2' ' CE1' ' A' ' 14' ' ' TYR . 1.8 ttmt . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.713 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 . . . . . 0 C--O 1.234 0.262 0 CA-C-O 120.839 0.352 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.851 ' CE2' HD12 ' B' ' 72' ' ' LEU . 21.7 m-85 -64.29 -31.82 73.18 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.038 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.31 25.84 41.95 Favored Glycine 0 C--N 1.34 0.759 0 C-N-CA 121.274 -0.489 . . . . 0.0 113.375 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.785 HD23 ' HB3' ' A' ' 14' ' ' TYR . 2.7 pp -94.29 118.41 31.55 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.911 0.386 . . . . 0.0 110.802 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.499 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 8.1 mmt85 -73.48 116.75 14.42 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.589 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.766 HD11 ' CG2' ' B' ' 22' ' ' ILE . 0.5 OUTLIER -103.56 132.52 49.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.53 -179.212 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.606 ' N ' HD13 ' A' ' 18' ' ' LEU . . . -136.62 175.02 9.99 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.843 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.6 p -132.2 143.99 50.34 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.843 0.354 . . . . 0.0 111.75 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.423 ' O ' HD13 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -116.3 -179.72 3.75 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.927 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.6 ' CG2' HD11 ' B' ' 18' ' ' LEU . 23.3 mm -129.65 140.69 48.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.179 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.545 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 3.6 p90 -148.56 175.74 10.91 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.206 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.6 t -108.45 115.57 49.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.124 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.515 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 9.3 tptp -59.89 -45.25 93.12 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -175.33 174.8 2.3 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.014 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.468 HD11 ' CA ' ' A' ' 40' ' ' GLN . 2.0 mp -124.71 134.27 67.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.4 t -74.34 150.93 39.88 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.978 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -74.35 148.81 40.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.826 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 58.71 37.5 25.1 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.074 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.1 p -112.37 171.6 7.42 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.84 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.417 ' HB2' ' HA ' ' B' ' 14' ' ' TYR . 28.1 mt -60.59 -41.14 94.11 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.95 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.536 ' CB ' HD12 ' A' ' 39' ' ' ILE . . . -62.28 -43.58 98.51 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.039 179.522 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.09 -36.57 82.08 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.11 179.581 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -79.2 -42.19 26.61 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.626 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.29 -35.19 75.0 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.221 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.12 36.87 92.48 Favored Glycine 0 C--N 1.336 0.531 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.667 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.555 ' HB3' HG22 ' B' ' 3' ' ' VAL . 30.3 m-80 -118.45 -43.54 2.7 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.717 0.258 . . . . 0.0 111.35 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.868 HD11 HD11 ' B' ' 5' ' ' LEU . 12.6 mt -84.48 137.54 20.7 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.039 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.468 ' CA ' HD11 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -138.62 146.59 41.91 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.717 179.673 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.99 122.35 12.11 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.836 0.35 . . . . 0.0 110.731 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.23 -16.46 49.4 Favored Glycine 0 CA--C 1.523 0.545 0 C-N-CA 120.8 -0.714 . . . . 0.0 113.022 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.39 144.5 20.59 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.9 0.35 . . . . 0.0 111.135 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.5 t -109.86 99.28 8.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.183 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.0 t -77.79 126.54 38.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.331 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.423 HD12 ' HD2' ' A' ' 47' ' ' LYS . 0.2 OUTLIER -91.22 -45.18 8.78 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.114 179.809 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.671 ' HG3' HG22 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -129.51 155.26 46.05 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.995 0.426 . . . . 0.0 111.632 -179.604 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.606 HD12 HG21 ' A' ' 53' ' ' THR . 31.3 mt -137.49 121.84 23.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.389 179.514 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 57.28 33.61 23.55 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.208 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.46 33.55 34.66 Favored Glycine 0 CA--C 1.522 0.518 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.935 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.42 129.71 11.27 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.712 0.256 . . . . 0.0 110.773 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.694 HG12 ' H ' ' A' ' 54' ' ' GLU . 27.8 t -72.88 135.12 28.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.583 179.633 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.606 HG21 HD12 ' A' ' 48' ' ' ILE . 0.9 OUTLIER -108.35 28.49 8.27 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.366 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.694 ' H ' HG12 ' A' ' 52' ' ' VAL . 5.9 tt0 -84.88 143.85 28.77 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.966 179.041 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.611 ' HA ' HD22 ' B' ' 58' ' ' LEU . 3.1 m120 63.92 13.93 7.99 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.835 -179.65 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -98.59 -173.21 2.48 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 120.781 0.324 . . . . 0.0 110.951 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.95 151.34 21.0 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.709 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.486 HD13 ' HA ' ' B' ' 55' ' ' ASN . 12.9 tp -56.65 -29.79 62.66 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.711 179.455 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.88 -37.01 83.61 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.737 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -56.74 -45.21 82.13 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.832 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.53 -39.71 73.84 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.713 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -65.8 -35.76 81.6 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.905 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.21 -46.82 82.21 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.912 179.75 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.413 HD13 ' HB ' ' A' ' 48' ' ' ILE . 0.7 OUTLIER -56.24 -37.13 69.33 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.827 0.346 . . . . 0.0 110.588 179.66 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.3 mt -76.86 -30.07 18.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.73 179.175 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.53 -52.03 24.58 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-O 120.735 0.303 . . . . 0.0 110.972 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -60.38 -33.14 72.04 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.19 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.415 ' CB ' ' HG ' ' A' ' 72' ' ' LEU . 3.1 m -58.54 115.95 3.35 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.729 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.83 68.1 0.87 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.244 -179.377 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.458 ' HA2' ' HG3' ' B' ' 7' ' ' LYS . . . 135.68 -95.94 0.26 Allowed Glycine 0 C--N 1.333 0.379 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.837 179.45 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.418 ' HE3' HG21 ' B' ' 4' ' ' THR . 0.6 OUTLIER -90.0 115.58 27.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 0.0 111.353 -179.529 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.762 HD12 ' CE2' ' B' ' 14' ' ' TYR . 0.6 OUTLIER -99.66 149.18 23.56 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.751 179.578 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.408 ' HG3' HG23 ' B' ' 4' ' ' THR . 1.1 tttt -126.05 135.05 51.31 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.902 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.429 ' HG2' HG23 ' A' ' 48' ' ' ILE . 26.6 mtm -147.65 125.22 11.73 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.707 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.6 t -98.23 127.51 50.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.714 0.292 . . . . 0.0 111.174 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.423 HG12 ' N ' ' A' ' 77' ' ' GLN . 3.2 t -111.23 164.52 7.1 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.423 ' N ' HG12 ' A' ' 76' ' ' VAL . 35.6 mt-30 . . . . . 0 N--CA 1.464 0.242 0 CA-C-O 120.706 0.289 . . . . 0.0 111.185 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 1' ' ' THR . . . . . 0.402 ' HB ' ' HB ' ' A' ' 76' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 120.653 0.263 . . . . 0.0 111.027 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -89.75 120.04 30.67 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 3' ' ' VAL . . . . . 0.555 HG22 ' HB3' ' A' ' 38' ' ' ASN . 59.5 t -103.55 121.04 54.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.038 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 4' ' ' THR . . . . . 0.418 HG21 ' HE3' ' A' ' 71' ' ' LYS . 0.3 OUTLIER -128.27 105.75 8.56 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.068 179.834 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.868 HD11 HD11 ' A' ' 39' ' ' ILE . 58.0 mt -94.58 159.19 15.2 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.488 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 20.3 t -137.95 101.53 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-O 120.923 0.392 . . . . 0.0 111.305 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.458 ' HG3' ' HA2' ' A' ' 70' ' ' GLY . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.183 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.797 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.23 0 CA-C-O 120.666 0.27 . . . . 0.0 110.55 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' TYR . . . . . 0.762 ' CE2' HD12 ' A' ' 72' ' ' LEU . 71.6 m-85 -58.82 -32.46 69.4 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.935 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.08 46.38 93.84 Favored Glycine 0 C--N 1.337 0.619 0 C-N-CA 121.313 -0.47 . . . . 0.0 113.111 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.571 HD23 ' HB3' ' B' ' 14' ' ' TYR . 3.2 pp -121.3 127.92 51.81 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.834 0.35 . . . . 0.0 111.076 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.515 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 4.1 mmt180 -85.09 112.79 20.98 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.59 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.697 HD13 ' N ' ' B' ' 19' ' ' ALA . 1.0 OUTLIER -100.05 135.74 41.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.434 -179.556 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.697 ' N ' HD13 ' B' ' 18' ' ' LEU . . . -141.24 167.59 21.82 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.573 179.441 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' SER . . . . . 0.403 ' OG ' ' HA ' ' B' ' 55' ' ' ASN . 58.4 p -121.59 151.05 40.81 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.018 0.437 . . . . 0.0 111.702 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -122.4 177.94 5.17 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.795 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.766 ' CG2' HD11 ' A' ' 18' ' ' LEU . 32.6 mm -130.65 143.09 41.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.082 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 7.8 p90 -149.45 178.62 8.64 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.254 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.501 HG21 HG23 ' B' ' 39' ' ' ILE . 39.9 t -105.09 110.86 32.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.012 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.499 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 4.6 tttp -62.18 -38.44 89.08 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -171.18 172.59 5.27 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.848 0.356 . . . . 0.0 111.052 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' ILE . . . . . 0.527 HD11 ' C ' ' B' ' 40' ' ' GLN . 2.9 mp -130.12 133.61 64.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 2.2 m -70.16 154.56 41.77 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.237 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -81.82 143.12 31.97 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.95 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 57.44 31.76 20.73 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.154 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.58 174.48 5.88 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.953 0.406 . . . . 0.0 110.817 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.409 HD22 ' O ' ' A' ' 6' ' ' VAL . 21.8 mt -57.31 -37.11 71.97 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.37 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.567 ' HB1' ' HB ' ' B' ' 39' ' ' ILE . . . -66.66 -40.44 88.62 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.682 -0.236 . . . . 0.0 111.011 179.529 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.14 -45.14 86.22 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.0 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -64.34 -37.64 88.23 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.738 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.15 -35.95 66.56 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.132 179.651 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.25 29.57 71.95 Favored Glycine 0 C--N 1.334 0.454 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.543 -179.544 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.633 ' HB3' HG22 ' A' ' 3' ' ' VAL . 2.9 m-80 -107.99 -31.74 7.85 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 111.591 0.219 . . . . 0.0 111.591 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' ILE . . . . . 0.884 HD11 HG11 ' A' ' 3' ' ' VAL . 29.3 mm -89.46 129.46 40.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-O 120.695 0.283 . . . . 0.0 111.254 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.527 ' C ' HD11 ' B' ' 27' ' ' ILE . 6.2 tt0 -129.65 153.68 47.87 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -61.06 112.87 2.26 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.738 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.56 -13.77 56.6 Favored Glycine 0 CA--C 1.523 0.558 0 C-N-CA 120.865 -0.683 . . . . 0.0 113.036 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.64 127.63 28.91 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.904 0.352 . . . . 0.0 111.094 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 29.0 t -86.63 133.89 28.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.563 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 23.8 t -108.47 118.89 57.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.843 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.15 -46.3 8.92 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.178 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 11.1 mtmt -124.93 153.75 42.21 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.84 0.352 . . . . 0.0 111.341 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.66 ' HB ' HD13 ' B' ' 64' ' ' LEU . 25.6 mt -142.46 124.4 12.9 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.484 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 49' ' ' ASN . . . . . 0.525 ' OD1' HG22 ' B' ' 48' ' ' ILE . 32.2 m120 57.18 32.3 21.49 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.371 -179.453 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.28 26.09 62.37 Favored Glycine 0 CA--C 1.522 0.486 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.741 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 2.3 m -139.5 138.44 36.36 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.688 0.28 . . . . 0.0 110.74 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.657 HG12 ' H ' ' B' ' 54' ' ' GLU . 23.2 t -68.07 140.95 18.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.482 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.9 27.38 8.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.253 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 54' ' ' GLU . . . . . 0.657 ' H ' HG12 ' B' ' 52' ' ' VAL . 0.1 OUTLIER -90.49 150.47 21.78 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 120.731 0.3 . . . . 0.0 110.418 179.108 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 55' ' ' ASN . . . . . 0.486 ' HA ' HD13 ' A' ' 58' ' ' LEU . 0.6 OUTLIER 52.0 17.35 0.65 Allowed 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.39 -179.391 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -100.67 164.18 11.99 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.744 0.307 . . . . 0.0 110.745 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 5.8 t -72.37 143.14 48.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.696 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.611 HD22 ' HA ' ' A' ' 55' ' ' ASN . 55.0 tp -56.3 -33.34 65.44 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.708 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.51 -40.38 92.95 Favored 'General case' 0 CA--C 1.527 0.089 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.471 179.462 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.76 -38.53 67.31 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.48 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.51 -39.75 94.35 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.9 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.2 -36.39 83.48 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.242 179.391 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.1 -40.91 97.46 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.924 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.66 HD13 ' HB ' ' B' ' 48' ' ' ILE . 11.9 mt -56.79 -34.73 67.94 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.794 0.33 . . . . 0.0 110.266 179.386 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 38.6 mt -70.41 -30.5 43.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.593 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -74.83 -38.25 62.08 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 120.809 0.337 . . . . 0.0 110.583 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -27.93 68.87 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.577 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 26.5 p -60.43 116.58 4.41 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.993 0.425 . . . . 0.0 111.064 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 3.0 mtmm -100.31 35.63 2.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.006 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 137.86 -75.34 0.38 Allowed Glycine 0 C--N 1.333 0.383 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.48 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' LYS . . . . . 0.42 ' HE3' HG21 ' A' ' 4' ' ' THR . 7.7 tttp -83.22 123.26 29.4 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.883 0.373 . . . . 0.0 111.195 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.851 HD12 ' CE2' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -117.02 132.06 56.79 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.623 179.662 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 2.5 mttp -112.22 136.3 51.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.702 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.581 ' HG2' HG23 ' B' ' 48' ' ' ILE . 19.8 mtm -144.95 121.04 10.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.549 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 19.8 t -97.75 124.04 50.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.265 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 31.0 m -113.08 165.07 8.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.34 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 . . . . . 0 N--CA 1.463 0.204 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.374 -179.877 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? . . . . . 0 C--O 1.233 0.202 0 CA-C-O 120.8 0.333 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.799 HG13 ' HB2' ' B' ' 38' ' ' ASN . 16.0 t -120.58 129.66 75.36 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.123 -179.551 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.0 m -127.71 119.27 25.44 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.793 0.33 . . . . 0.0 111.058 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.519 HD22 ' N ' ' A' ' 5' ' ' LEU . 2.8 mm? -115.06 158.72 21.74 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.0 t -132.08 101.55 4.95 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.054 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.425 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 8.4 ttmt . . . . . 0 CA--C 1.531 0.237 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.15 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.455 -0.196 0 CA-C-O 120.887 0.375 . . . . 0.0 111.271 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.592 ' HA ' HD12 ' B' ' 32' ' ' LEU . 74.3 m-85 -75.59 -25.82 57.35 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.299 179.55 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.8 38.74 89.74 Favored Glycine 0 C--N 1.337 0.633 0 C-N-CA 121.147 -0.549 . . . . 0.0 112.985 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.581 HD12 ' O ' ' A' ' 16' ' ' LEU . 3.3 pp -128.52 135.61 49.65 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.838 0.352 . . . . 0.0 110.985 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.618 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.6 OUTLIER -93.45 122.95 36.41 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.695 179.765 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.606 HD11 ' CG2' ' B' ' 22' ' ' ILE . 0.2 OUTLIER -101.57 140.97 35.14 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.49 -179.595 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.474 ' HB3' ' CZ ' ' B' ' 23' ' ' PHE . . . -147.33 165.49 30.0 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.855 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.423 ' OG ' ' HA ' ' A' ' 55' ' ' ASN . 81.6 p -131.73 151.8 51.38 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.978 0.418 . . . . 0.0 111.666 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.402 ' HD2' ' CE1' ' B' ' 23' ' ' PHE . 0.1 OUTLIER -121.19 179.14 4.49 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.863 179.844 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.742 ' CG2' HD11 ' B' ' 18' ' ' LEU . 35.0 mm -130.54 142.15 44.44 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.998 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.539 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 6.4 p90 -149.68 176.61 10.52 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.199 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.448 HG21 HG23 ' A' ' 39' ' ' ILE . 24.9 t -103.66 111.17 32.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.784 179.587 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.47 ' HB3' ' HG2' ' B' ' 17' ' ' ARG . 6.1 tptt -60.39 -37.25 80.18 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.379 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.428 ' HG2' ' CB ' ' B' ' 17' ' ' ARG . 1.1 pt-20 -179.55 171.56 1.22 Allowed 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.738 0.304 . . . . 0.0 111.085 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.42 ' CG2' ' HB3' ' A' ' 33' ' ' ALA . 3.3 mp -126.07 136.85 59.59 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.978 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.4 m -75.64 156.27 35.03 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.22 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -80.78 149.74 29.5 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.954 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 58.18 33.87 23.58 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.139 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.9 p -108.24 174.57 5.82 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.119 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.489 HD11 ' HA ' ' B' ' 7' ' ' LYS . 8.8 mt -61.57 -41.41 97.35 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.934 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.422 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -63.7 -41.06 98.17 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.887 179.394 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.88 -37.51 82.41 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.952 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.69 -42.35 41.99 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.127 179.62 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.96 -36.96 85.68 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.237 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.2 33.01 77.21 Favored Glycine 0 C--N 1.336 0.552 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.747 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.558 ' CB ' HG13 ' B' ' 3' ' ' VAL . 6.1 m-80 -112.67 -39.17 4.39 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 120.442 0.163 . . . . 0.0 111.325 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.807 HD11 HG11 ' B' ' 3' ' ' VAL . 19.4 mm -85.3 126.35 40.4 Favored 'Isoleucine or valine' 0 C--O 1.232 0.145 0 CA-C-O 120.697 0.284 . . . . 0.0 110.935 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -129.44 153.94 47.45 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.922 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -58.73 124.99 21.6 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.958 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.59 -9.77 73.47 Favored Glycine 0 CA--C 1.523 0.593 0 C-N-CA 120.869 -0.681 . . . . 0.0 113.324 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -56.94 121.15 9.24 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 117.198 0.499 . . . . 0.0 110.865 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.7 t -83.5 120.83 35.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.944 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.651 HG22 HG12 ' A' ' 76' ' ' VAL . 23.5 t -91.35 134.06 31.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.263 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -106.48 -39.48 5.86 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.135 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -138.41 155.99 47.99 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.93 0.395 . . . . 0.0 111.455 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.673 ' HB ' HD13 ' A' ' 64' ' ' LEU . 23.9 mt -142.57 123.97 12.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.517 179.601 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 57.81 33.37 23.13 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.202 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.2 32.67 51.58 Favored Glycine 0 C--N 1.337 0.614 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.735 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.3 m -145.27 143.56 30.29 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.698 0.249 . . . . 0.0 110.904 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.494 HG12 ' H ' ' A' ' 54' ' ' GLU . 16.7 t -77.11 139.42 18.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.64 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.495 HG21 HD12 ' A' ' 48' ' ' ILE . 0.7 OUTLIER -122.66 35.85 4.78 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.433 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.494 ' H ' HG12 ' A' ' 52' ' ' VAL . 0.2 OUTLIER -93.49 142.75 26.98 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.753 0.311 . . . . 0.0 110.236 179.237 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.568 ' HB3' HD22 ' B' ' 58' ' ' LEU . 8.4 m-20 62.77 14.05 6.98 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.738 -0.664 . . . . 0.0 112.063 -179.516 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.1 tpp -96.24 161.23 14.04 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.735 0.302 . . . . 0.0 110.841 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.49 145.66 49.04 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.635 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.64 HD11 ' HA ' ' B' ' 19' ' ' ALA . 13.8 tp -54.98 -32.63 61.82 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.979 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.3 -38.47 87.82 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.673 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -57.29 -46.0 83.59 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.744 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.76 -37.17 73.18 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.005 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.9 mmtt -65.95 -37.44 86.03 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.653 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.13 -44.37 92.04 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.188 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.673 HD13 ' HB ' ' A' ' 48' ' ' ILE . 1.8 mt -56.49 -36.77 69.5 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.766 0.317 . . . . 0.0 110.418 179.559 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 33.3 mt -73.56 -30.64 30.19 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.932 179.07 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -76.78 -48.54 18.31 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.019 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.59 -28.63 65.75 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.357 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.4 m -58.17 104.5 0.21 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.857 0.36 . . . . 0.0 111.186 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.3 mttm -66.44 -35.55 80.58 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.401 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.503 ' O ' ' HG2' ' B' ' 7' ' ' LYS . . . -152.85 -95.86 0.12 Allowed Glycine 0 C--N 1.337 0.6 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.893 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.618 ' HG2' HG22 ' B' ' 6' ' ' VAL . 12.9 mttt -60.37 123.63 17.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.753 0.311 . . . . 0.0 111.336 -179.551 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.853 HD12 ' CZ ' ' B' ' 14' ' ' TYR . 0.6 OUTLIER -109.63 148.62 31.0 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.955 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -125.51 129.57 50.02 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.735 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.443 ' HE3' HD12 ' A' ' 39' ' ' ILE . 0.6 OUTLIER -139.52 126.49 20.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.677 179.881 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 24.5 t -100.01 110.96 28.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.774 0.321 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.651 HG12 HG22 ' A' ' 45' ' ' VAL . 28.2 m -121.5 173.79 6.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.474 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 . . . . . 0 C--O 1.233 0.195 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.605 179.443 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 120.682 0.277 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.79 125.81 52.35 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.97 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 3' ' ' VAL . . . . . 0.807 HG11 HD11 ' A' ' 39' ' ' ILE . 17.5 t -106.59 127.87 61.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.804 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 18.9 m -128.34 116.69 20.19 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.874 0.369 . . . . 0.0 111.13 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.512 HD22 ' N ' ' B' ' 5' ' ' LEU . 3.0 mm? -110.52 160.24 16.81 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.455 179.679 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 6' ' ' VAL . . . . . 0.618 HG22 ' HG2' ' A' ' 71' ' ' LYS . 21.8 t -136.74 100.01 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.225 0 CA-C-O 120.742 0.306 . . . . 0.0 111.31 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.503 ' HG2' ' O ' ' A' ' 70' ' ' GLY . 10.3 ptmm? . . . . . 0 N--CA 1.466 0.327 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.178 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 . . . . . 0 N--CA 1.449 -0.489 0 CA-C-O 120.712 0.291 . . . . 0.0 110.786 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 14' ' ' TYR . . . . . 0.853 ' CZ ' HD12 ' A' ' 72' ' ' LEU . 6.6 m-85 -74.69 -31.6 61.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.941 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.54 44.81 95.25 Favored Glycine 0 C--N 1.338 0.685 0 C-N-CA 121.106 -0.569 . . . . 0.0 112.941 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.502 HD23 ' CB ' ' B' ' 14' ' ' TYR . 2.5 pp -115.04 118.57 33.77 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.045 0.45 . . . . 0.0 110.863 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.47 ' HG2' ' HB3' ' A' ' 25' ' ' LYS . 16.7 tpp180 -74.76 115.5 14.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.323 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.742 HD11 ' CG2' ' A' ' 22' ' ' ILE . 1.1 tm? -98.99 124.68 44.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.228 -179.42 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.64 ' HA ' HD11 ' A' ' 58' ' ' LEU . . . -129.24 169.88 14.27 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.775 179.63 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 89.4 p -129.68 152.83 48.76 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.965 0.412 . . . . 0.0 111.497 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' HIS . . . . . 0.425 ' HD2' ' CE1' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -120.97 179.02 4.5 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.502 179.653 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.606 ' CG2' HD11 ' A' ' 18' ' ' LEU . 26.3 mm -132.86 141.96 43.58 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-O 120.746 0.308 . . . . 0.0 111.339 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 11.2 p90 -149.54 -179.55 7.18 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.238 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.489 HG21 HG23 ' B' ' 39' ' ' ILE . 22.4 t -105.62 112.7 40.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.915 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.618 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 11.0 tptt -62.34 -37.79 87.0 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.291 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -175.85 173.47 2.31 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.054 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' ILE . . . . . 0.472 HD12 ' HG3' ' B' ' 41' ' ' GLU . 3.4 mp -140.53 135.35 35.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.477 179.621 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 52.6 p -85.69 143.87 28.13 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.896 0.379 . . . . 0.0 110.846 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -71.41 161.17 31.48 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.926 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 58.49 30.86 20.31 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.081 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 34.3 m -115.85 176.87 4.89 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.678 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.592 HD12 ' HA ' ' A' ' 14' ' ' TYR . 61.0 mt -57.17 -38.77 74.08 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.035 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.73 ' HB2' HD12 ' B' ' 39' ' ' ILE . . . -68.04 -42.62 80.29 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.318 179.457 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.47 -45.82 92.35 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.935 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.38 -34.64 74.85 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.535 179.159 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -70.11 -40.67 74.76 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.244 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.25 30.72 69.25 Favored Glycine 0 C--N 1.335 0.481 0 C-N-CA 121.05 -0.595 . . . . 0.0 113.095 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.799 ' HB2' HG13 ' A' ' 3' ' ' VAL . 68.8 m-20 -116.89 -37.85 3.53 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.889 0.345 . . . . 0.0 111.777 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' ILE . . . . . 0.73 HD12 ' HB2' ' B' ' 33' ' ' ALA . 22.8 mt -85.14 123.58 39.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-O 120.662 0.268 . . . . 0.0 110.955 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -129.48 153.68 47.74 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.472 ' HG3' HD12 ' B' ' 27' ' ' ILE . 0.9 OUTLIER -61.94 121.94 14.22 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.741 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.75 -18.04 48.06 Favored Glycine 0 CA--C 1.522 0.494 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.968 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -56.29 131.12 47.19 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.85 0.325 . . . . 0.0 111.059 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.9 t -100.87 116.85 45.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.695 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 32.9 t -94.86 131.32 42.01 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.179 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.2 pp -103.5 -37.27 7.65 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.441 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -130.61 147.79 52.33 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.734 0.302 . . . . 0.0 110.906 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 23.4 mt -135.38 112.16 13.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.725 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 60.43 34.55 20.54 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.205 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.07 28.1 46.82 Favored Glycine 0 C--N 1.336 0.571 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.928 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -139.11 122.09 16.71 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.841 0.321 . . . . 0.0 110.692 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.629 HG12 ' H ' ' B' ' 54' ' ' GLU . 15.4 t -61.4 142.28 16.38 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.47 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.427 ' CG2' HG13 ' B' ' 22' ' ' ILE . 0.2 OUTLIER -118.81 25.08 10.47 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.436 -179.808 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 54' ' ' GLU . . . . . 0.629 ' H ' HG12 ' B' ' 52' ' ' VAL . 0.0 OUTLIER -88.62 148.52 24.01 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 179.456 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 55' ' ' ASN . . . . . 0.58 ' HB2' HD22 ' A' ' 58' ' ' LEU . 0.6 OUTLIER 52.05 18.52 0.85 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.341 -179.487 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 1.7 ttm -99.52 153.3 19.14 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 120.602 0.239 . . . . 0.0 110.656 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 5.8 p -66.12 145.24 56.06 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.626 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.568 HD22 ' HB3' ' A' ' 55' ' ' ASN . 18.1 tp -56.18 -31.75 63.7 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.78 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.08 -37.79 88.65 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.72 179.419 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -56.61 -46.09 81.09 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.807 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.23 -38.95 74.54 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.781 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -64.89 -36.98 86.11 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.601 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.17 -40.81 98.63 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.966 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 5.2 mt -56.64 -34.43 67.29 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.738 0.304 . . . . 0.0 110.609 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 32.0 mt -73.78 -29.73 26.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 179.205 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -78.69 -46.56 18.8 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.629 0.252 . . . . 0.0 110.816 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 67.1 ttp85 -62.24 -20.92 64.73 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.62 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 52.8 p -51.43 108.94 0.3 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 121.033 0.444 . . . . 0.0 110.922 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -31.14 72.0 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.155 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -169.39 -70.81 0.04 OUTLIER Glycine 0 C--N 1.336 0.562 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.372 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 8.2 ptpt -87.42 134.85 33.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.832 0.348 . . . . 0.0 111.085 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.41 HD12 ' CZ ' ' A' ' 14' ' ' TYR . 0.6 OUTLIER -111.48 141.65 44.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.691 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -125.37 134.06 52.32 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.905 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 1.4 mpp? -129.12 152.52 48.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.711 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 20.1 t -124.57 111.38 28.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.188 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.4 t -100.46 157.35 4.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.238 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.252 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.203 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.675 ' HG2' HG22 ' B' ' 75' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.128 0 CA-C-O 120.767 0.318 . . . . 0.0 110.723 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.744 HG11 ' CD1' ' B' ' 39' ' ' ILE . 12.0 t -103.68 131.32 52.54 Favored 'Isoleucine or valine' 0 C--O 1.231 0.114 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.974 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.406 HG23 ' HG3' ' B' ' 73' ' ' LYS . 4.1 m -129.1 105.86 8.46 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-O 120.831 0.348 . . . . 0.0 111.116 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.492 HD22 ' N ' ' A' ' 5' ' ' LEU . 2.7 mm? -94.34 157.83 15.85 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.872 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.419 ' O ' HD22 ' B' ' 32' ' ' LEU . 20.1 t -132.85 102.79 5.4 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 CA-C-O 120.942 0.401 . . . . 0.0 111.257 179.65 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm . . . . . 0 C--O 1.232 0.171 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.672 179.688 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.234 0.264 0 CA-C-O 120.47 0.176 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.768 ' HB3' HD23 ' A' ' 16' ' ' LEU . 65.6 m-85 -51.35 -40.18 58.59 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.833 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.96 46.91 90.64 Favored Glycine 0 C--N 1.337 0.628 0 CA-C-N 116.058 -0.519 . . . . 0.0 113.349 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.768 HD23 ' HB3' ' A' ' 14' ' ' TYR . 3.0 pp -122.92 122.13 37.86 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.91 0.386 . . . . 0.0 110.936 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.507 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -79.26 112.41 16.46 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.538 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.757 HD11 ' CG2' ' B' ' 22' ' ' ILE . 0.2 OUTLIER -96.42 139.65 32.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.53 -179.356 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.49 ' N ' HD13 ' A' ' 18' ' ' LEU . . . -142.82 164.94 28.73 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.053 179.75 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.404 ' HB3' HD12 ' B' ' 58' ' ' LEU . 54.2 p -126.96 152.64 46.9 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.966 0.412 . . . . 0.0 111.465 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -120.99 176.1 5.73 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.818 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.79 ' CG2' HD11 ' B' ' 18' ' ' LEU . 26.1 mm -132.2 140.69 47.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.389 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.483 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 12.5 p90 -149.49 179.92 7.59 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.22 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -106.09 113.48 42.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.976 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.512 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 9.7 tptt -63.63 -38.06 89.67 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.195 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -175.3 173.08 2.6 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.854 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.426 ' CG2' ' HB3' ' A' ' 33' ' ' ALA . 3.6 mp -136.86 138.22 46.3 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.907 179.543 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.6 m -84.35 149.09 26.27 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.117 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -77.17 158.98 30.06 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.114 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 57.98 31.24 20.36 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.304 -179.724 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.16 178.14 4.39 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.853 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.501 HD22 ' O ' ' B' ' 6' ' ' VAL . 80.7 mt -58.4 -35.96 72.83 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.968 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.426 ' HB3' ' CG2' ' A' ' 27' ' ' ILE . . . -68.98 -38.53 79.39 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.244 179.293 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.08 -48.63 73.06 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.158 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.96 -40.8 97.26 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.896 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -68.89 -41.58 78.11 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.163 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.79 37.17 93.15 Favored Glycine 0 CA--C 1.521 0.447 0 C-N-CA 121.116 -0.564 . . . . 0.0 112.97 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.686 ' CB ' HG13 ' B' ' 3' ' ' VAL . 22.6 m-80 -120.42 4.84 10.7 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.605 HD11 HD21 ' B' ' 5' ' ' LEU . 3.7 mt -128.04 131.19 69.69 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-O 120.618 0.247 . . . . 0.0 111.033 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 -123.32 157.77 32.49 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -62.41 118.43 7.5 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.764 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.89 -1.18 55.21 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 120.966 -0.635 . . . . 0.0 113.279 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.35 134.12 56.72 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 117.167 0.483 . . . . 0.0 110.905 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 36.5 t -97.08 115.07 35.71 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.021 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 20.1 t -90.45 128.4 42.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.337 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.8 mp -102.79 -43.52 5.54 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.013 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.61 152.22 51.71 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.776 0.322 . . . . 0.0 111.554 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.5 mt -139.08 125.37 23.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.806 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 44.13 37.52 1.9 Allowed 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.905 -179.499 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.72 37.5 22.92 Favored Glycine 0 C--N 1.338 0.645 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.766 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.2 m -145.58 126.11 14.13 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.559 0.219 . . . . 0.0 110.615 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.1 t -62.44 144.15 14.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.566 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.754 HG22 HG13 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -125.44 53.94 1.51 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.048 0.451 . . . . 0.0 110.873 -179.818 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.8 138.36 53.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.233 179.34 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.695 ' HA ' HD13 ' B' ' 58' ' ' LEU . 4.2 m-20 70.57 5.03 5.22 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.97 -179.505 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.9 ttm -91.59 159.94 15.65 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.767 0.318 . . . . 0.0 111.015 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 79.5 p -75.44 148.67 38.91 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.782 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 30.1 tp -56.42 -31.18 63.67 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.717 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.65 -40.79 92.85 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.777 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.92 -41.2 82.2 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.863 179.633 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.37 -37.25 74.86 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.752 179.373 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.496 ' HA ' HD12 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -68.42 -35.74 78.06 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.237 179.203 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.7 -41.03 88.66 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.901 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.455 ' HA ' HD23 ' A' ' 64' ' ' LEU . 12.4 mt -56.4 -34.94 67.21 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 120.707 0.289 . . . . 0.0 110.615 179.586 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.496 HD12 ' HA ' ' A' ' 62' ' ' LYS . 23.2 mt -69.62 -29.8 42.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.708 179.148 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.21 -51.72 14.57 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.884 179.694 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.4 ttt85 -62.53 -24.97 67.79 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.344 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 m -57.77 115.17 2.65 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.742 0.306 . . . . 0.0 111.111 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.6 mmpp? -86.57 106.54 17.62 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.635 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 61.66 -98.62 0.19 Allowed Glycine 0 C--N 1.335 0.493 0 C-N-CA 121.247 -0.502 . . . . 0.0 113.546 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.436 ' HG3' HG22 ' B' ' 6' ' ' VAL . 0.0 OUTLIER -66.26 140.24 58.13 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 120.725 0.298 . . . . 0.0 111.179 -179.38 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.872 HD12 ' CZ ' ' B' ' 14' ' ' TYR . 0.4 OUTLIER -126.68 144.87 50.79 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.083 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 59.1 mttt -122.28 131.85 54.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.538 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 8.1 mtm -138.87 125.09 20.21 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.801 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 18.4 t -100.15 115.48 41.44 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.153 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.706 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.1 m -115.44 162.94 13.13 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.503 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.464 0.228 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.241 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 120.809 0.337 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.51 134.43 55.22 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.988 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 3' ' ' VAL . . . . . 0.686 HG13 ' CB ' ' A' ' 38' ' ' ASN . 17.9 t -110.04 119.14 58.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.614 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.92 107.92 14.67 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 120.76 0.314 . . . . 0.0 111.439 -179.435 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.646 ' CD2' HG12 ' B' ' 3' ' ' VAL . 3.2 mm? -99.67 160.06 14.58 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.92 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 6' ' ' VAL . . . . . 0.501 ' O ' HD22 ' A' ' 32' ' ' LEU . 19.8 t -130.36 100.61 5.11 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.958 179.607 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.415 ' HB2' ' CZ ' ' B' ' 14' ' ' TYR . 5.9 ttmt . . . . . 0 C--O 1.234 0.238 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.232 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 . . . . . 0 CA--C 1.531 0.237 0 CA-C-O 120.928 0.394 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 14' ' ' TYR . . . . . 0.872 ' CZ ' HD12 ' A' ' 72' ' ' LEU . 41.5 m-85 -71.25 -20.22 62.26 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.796 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.04 42.28 94.92 Favored Glycine 0 C--N 1.338 0.676 0 C-N-CA 121.156 -0.545 . . . . 0.0 112.91 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.569 ' O ' HD12 ' B' ' 16' ' ' LEU . 2.8 pp -116.15 122.49 45.24 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.842 0.353 . . . . 0.0 111.043 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.512 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -79.2 111.34 15.32 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.53 179.706 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.79 HD11 ' CG2' ' A' ' 22' ' ' ILE . 0.4 OUTLIER -94.3 137.11 33.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.4 -179.447 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.583 ' N ' HD13 ' B' ' 18' ' ' LEU . . . -137.5 175.54 9.51 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.989 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 20' ' ' SER . . . . . 0.404 ' HB3' HD13 ' A' ' 22' ' ' ILE . 6.8 p -141.01 150.89 43.62 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.993 0.425 . . . . 0.0 111.951 -179.612 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -121.9 -179.75 4.24 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.841 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.757 ' CG2' HD11 ' A' ' 18' ' ' LEU . 35.1 mm -134.12 140.31 46.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.279 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 7.7 p90 -149.07 -178.13 6.2 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.385 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 12.2 t -109.16 119.84 59.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.024 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.507 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 10.9 tptm -68.12 -45.41 73.73 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.649 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.444 ' O ' HD13 ' B' ' 27' ' ' ILE . 0.1 OUTLIER -165.67 172.69 11.59 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.844 0.354 . . . . 0.0 111.214 -179.623 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 27' ' ' ILE . . . . . 0.807 HD12 HG22 ' B' ' 39' ' ' ILE . 2.2 mm -125.66 129.91 72.63 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.951 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 6.5 p -78.72 146.51 33.87 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.604 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -74.95 150.07 39.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.157 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 60.43 37.94 19.61 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.431 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 9.2 p -115.36 177.89 4.5 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.837 0.351 . . . . 0.0 111.277 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.523 HD12 ' CD1' ' A' ' 14' ' ' TYR . 64.9 mt -63.32 -36.76 84.75 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.638 179.575 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.756 ' HB1' ' HB ' ' B' ' 39' ' ' ILE . . . -65.35 -43.91 89.39 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.008 179.352 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.46 -43.44 93.21 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.876 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 28.3 tpt180 -71.16 -39.49 71.86 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.755 179.323 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -64.54 -35.38 80.78 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.185 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.91 39.74 89.37 Favored Glycine 0 C--N 1.334 0.452 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.531 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.738 ' CB ' HG13 ' A' ' 3' ' ' VAL . 36.7 m-80 -129.77 -51.67 1.15 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.599 0.2 . . . . 0.0 111.275 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 39' ' ' ILE . . . . . 0.807 HG22 HD12 ' B' ' 27' ' ' ILE . 29.6 mm -71.57 116.37 13.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.888 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.435 ' C ' HD11 ' B' ' 27' ' ' ILE . 36.9 mt-30 -126.43 171.26 11.17 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.208 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.43 ' HG3' ' HA ' ' B' ' 26' ' ' GLU . 6.1 mp0 -74.46 128.23 35.02 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.771 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.45 -18.99 55.9 Favored Glycine 0 CA--C 1.522 0.472 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.985 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -56.39 132.81 52.14 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.824 0.312 . . . . 0.0 111.098 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.7 t -99.9 125.83 53.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.355 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 21.3 t -97.48 131.24 44.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.421 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.1 -44.46 6.61 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.98 179.691 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.39 154.49 50.71 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.689 -179.349 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.636 ' HB ' HD22 ' B' ' 64' ' ' LEU . 37.1 mt -133.14 120.34 39.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 179.452 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 22.7 p30 43.85 38.1 1.96 Allowed 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.277 0.631 . . . . 0.0 111.892 -179.36 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.5 37.78 16.37 Favored Glycine 0 C--N 1.336 0.545 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.793 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.2 120.1 8.72 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.785 0.293 . . . . 0.0 110.627 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.459 HG12 ' H ' ' B' ' 54' ' ' GLU . 18.3 t -65.3 138.59 22.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.535 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.73 37.75 4.21 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.236 -179.692 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 54' ' ' GLU . . . . . 0.459 ' H ' HG12 ' B' ' 52' ' ' VAL . 0.1 OUTLIER -102.46 146.25 28.37 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 120.727 0.299 . . . . 0.0 110.219 179.11 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 4.8 m120 63.86 9.37 4.44 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.176 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -97.59 161.96 13.52 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 120.954 0.407 . . . . 0.0 111.213 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 10.4 m -77.4 150.71 35.03 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.823 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.695 HD13 ' HA ' ' A' ' 55' ' ' ASN . 8.2 tp -54.6 -30.06 53.52 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.895 179.532 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.98 -42.07 97.66 Favored 'General case' 0 C--O 1.231 0.086 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.75 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -56.73 -45.02 82.2 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.794 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.65 -38.93 72.84 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.651 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 9.1 mtmm -65.47 -38.11 88.83 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.327 179.239 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.2 -39.26 89.52 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.926 179.504 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.636 HD22 ' HB ' ' B' ' 48' ' ' ILE . 0.5 OUTLIER -56.19 -36.06 67.96 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.795 0.331 . . . . 0.0 110.513 179.714 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 13.0 mt -75.05 -31.2 24.51 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 179.186 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.82 -49.39 53.1 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.077 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.34 -33.73 72.83 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.201 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 68' ' ' SER . . . . . 0.402 ' CB ' ' HG ' ' B' ' 72' ' ' LEU . 63.2 m -74.72 90.59 2.33 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.849 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.84 36.17 1.87 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.214 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -172.34 -102.74 0.16 Allowed Glycine 0 C--N 1.333 0.386 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.407 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.45 122.11 35.54 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.946 0.373 . . . . 0.0 111.07 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.532 HD12 ' CE2' ' A' ' 14' ' ' TYR . 0.3 OUTLIER -108.44 144.1 36.49 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.87 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 73' ' ' LYS . . . . . 0.406 ' HG3' HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER -125.98 142.01 51.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.751 179.65 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.46 ' CE ' HD12 ' B' ' 39' ' ' ILE . 32.9 mtm -147.02 127.5 14.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.677 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.675 HG22 ' HG2' ' A' ' 2' ' ' LYS . 24.2 t -97.91 111.12 26.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.559 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 14.4 m -102.52 169.99 1.8 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.289 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? . . . . . 0 C--O 1.233 0.222 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.165 179.895 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.2 pttp . . . . . 0 C--O 1.233 0.214 0 CA-C-O 120.867 0.365 . . . . 0.0 111.316 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.731 HG11 ' CG1' ' B' ' 39' ' ' ILE . 36.3 t -104.22 127.14 58.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.883 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.0 m -129.05 105.57 8.28 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.788 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.643 HD11 ' CD1' ' B' ' 39' ' ' ILE . 89.2 mt -98.83 152.29 19.88 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.749 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.8 t -121.19 103.92 14.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.942 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.448 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--O 1.233 0.227 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.0 pm0 . . . . . 0 C--O 1.233 0.23 0 CA-C-O 120.829 0.347 . . . . 0.0 110.796 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.748 ' HB3' HD23 ' A' ' 16' ' ' LEU . 26.8 m-85 -65.63 -47.5 75.38 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.266 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.59 14.95 45.13 Favored Glycine 0 C--N 1.336 0.558 0 C-N-CA 121.092 -0.575 . . . . 0.0 113.307 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.748 HD23 ' HB3' ' A' ' 14' ' ' TYR . 2.6 pp -86.2 112.24 21.16 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 117.377 0.588 . . . . 0.0 111.045 -179.68 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.453 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 2.9 ttm180 -73.65 130.97 41.13 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.305 179.508 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -117.67 163.75 16.01 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.11 0.481 . . . . 0.0 111.654 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.653 ' HB3' ' CZ ' ' B' ' 23' ' ' PHE . . . -157.18 -179.08 7.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.999 -179.482 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.1 p -134.9 149.25 50.25 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.107 0.48 . . . . 0.0 111.685 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.439 ' HD2' ' CE1' ' B' ' 23' ' ' PHE . 0.1 OUTLIER -116.18 176.08 5.26 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.637 179.812 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.746 ' CG2' HD11 ' B' ' 18' ' ' LEU . 30.6 mm -133.95 138.73 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-O 120.796 0.332 . . . . 0.0 111.34 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.453 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 10.1 p90 -147.81 -179.41 6.88 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.314 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.9 t -103.43 117.02 48.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.069 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.513 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 8.0 tptt -66.18 -39.72 89.91 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.341 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -174.43 175.56 2.55 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.864 0.364 . . . . 0.0 111.083 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.481 ' CG2' ' HB3' ' A' ' 33' ' ' ALA . 2.5 mt -130.16 137.27 56.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.042 179.485 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m -75.84 150.76 37.6 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.143 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -74.93 144.08 43.42 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.787 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.01 33.45 21.36 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.939 -179.546 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.553 ' HB2' ' HA3' ' B' ' 15' ' ' GLY . 24.2 p -103.92 177.75 4.75 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.274 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.628 HD21 ' O ' ' B' ' 6' ' ' VAL . 0.4 OUTLIER -62.55 -41.78 99.12 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.816 179.912 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.66 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -62.12 -43.1 99.57 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.878 179.399 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.79 -36.74 84.37 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.952 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.1 tpt180 -71.6 -41.03 69.45 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.848 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.43 -38.4 74.54 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.447 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.49 36.41 54.58 Favored Glycine 0 C--N 1.334 0.422 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.494 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.665 ' CB ' HG13 ' B' ' 3' ' ' VAL . 1.9 m-80 -118.94 -51.32 2.35 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.483 0.182 . . . . 0.0 110.832 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.66 ' HB ' ' HB1' ' A' ' 33' ' ' ALA . 32.9 mm -73.34 125.33 32.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.791 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.406 ' CA ' HD11 ' A' ' 27' ' ' ILE . 3.9 mt-30 -131.45 155.68 46.94 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.861 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -60.09 119.67 8.26 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.977 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.89 -19.58 40.8 Favored Glycine 0 CA--C 1.522 0.504 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.686 -179.447 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.55 123.02 13.38 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.893 0.378 . . . . 0.0 111.1 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.2 t -89.52 120.9 39.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.015 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 20.8 t -89.61 120.43 38.35 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.343 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 46' ' ' LEU . 0.2 OUTLIER -85.07 -47.68 9.95 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.903 179.777 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.9 mtpt -136.74 156.23 48.79 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 120.978 0.418 . . . . 0.0 111.493 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.57 ' HB ' HD13 ' A' ' 64' ' ' LEU . 28.3 mt -136.16 118.94 21.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.55 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 56.98 36.75 28.2 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.165 -179.659 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.35 35.89 41.05 Favored Glycine 0 CA--C 1.521 0.465 0 C-N-CA 120.963 -0.637 . . . . 0.0 112.686 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.76 132.84 24.43 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.54 0.21 . . . . 0.0 110.701 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.3 t -64.63 143.19 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.099 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.633 HG22 HG13 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -124.26 43.7 2.93 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.062 179.638 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -115.95 143.99 44.68 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 178.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 65.23 9.44 5.62 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.784 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.6 ttm -98.53 147.66 24.55 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.844 0.354 . . . . 0.0 110.916 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.2 m -61.99 147.57 46.65 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 65.4 tp -54.22 -31.43 53.18 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.667 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.05 -40.39 94.69 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.851 179.545 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.04 -43.4 77.83 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.792 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.15 -42.07 85.12 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.954 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.9 mttm -62.14 -34.88 77.2 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.564 179.25 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.8 m -66.53 -40.1 88.97 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 179.5 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.57 HD13 ' HB ' ' A' ' 48' ' ' ILE . 1.8 mt -55.52 -34.21 64.44 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.922 0.391 . . . . 0.0 110.42 179.591 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 33.0 mt -71.64 -31.06 40.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.62 179.129 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -74.68 -36.53 62.79 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.789 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -69.81 -25.23 63.67 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.454 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.5 m -64.65 100.2 0.37 Allowed 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 120.771 0.319 . . . . 0.0 110.946 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.8 mmpt? -62.81 -56.34 18.31 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.743 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -124.44 -88.7 0.8 Allowed Glycine 0 C--N 1.336 0.566 0 C-N-CA 120.748 -0.739 . . . . 0.0 113.101 -179.439 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.35 144.76 48.15 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.755 0.312 . . . . 0.0 110.854 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.703 HD12 ' CZ ' ' B' ' 14' ' ' TYR . 0.4 OUTLIER -121.36 125.19 46.37 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.005 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -108.36 126.8 53.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.634 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.492 ' HG2' HG23 ' A' ' 48' ' ' ILE . 4.9 mtm -137.37 126.09 23.88 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.721 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.9 t -98.22 111.08 27.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.944 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 10.7 m -105.62 174.19 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.433 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.176 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.062 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 6.7 m . . . . . 0 N--CA 1.489 1.495 0 CA-C-O 120.68 0.276 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -114.58 132.09 56.46 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.247 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 3' ' ' VAL . . . . . 0.665 HG13 ' CB ' ' A' ' 38' ' ' ASN . 17.8 t -109.77 132.19 58.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.2 108.92 10.72 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.13 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 73.1 mt -103.39 157.77 16.8 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.053 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' VAL . . . . . 0.628 ' O ' HD21 ' A' ' 32' ' ' LEU . 21.8 t -129.58 100.76 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.86 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt . . . . . 0 CA--C 1.531 0.218 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.12 -179.834 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 . . . . . 0 N--CA 1.456 -0.141 0 CA-C-O 120.717 0.294 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 14' ' ' TYR . . . . . 0.703 ' CZ ' HD12 ' A' ' 72' ' ' LEU . 97.3 m-85 -75.51 -24.3 56.81 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.287 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 15' ' ' GLY . . . . . 0.553 ' HA3' ' HB2' ' A' ' 31' ' ' SER . . . 72.61 39.76 55.26 Favored Glycine 0 C--N 1.334 0.472 0 C-N-CA 120.999 -0.619 . . . . 0.0 112.765 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.578 HD23 ' HB3' ' B' ' 14' ' ' TYR . 2.5 pp -124.64 125.23 43.79 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.853 0.359 . . . . 0.0 111.16 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.513 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -86.67 120.19 27.72 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.781 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.746 HD11 ' CG2' ' A' ' 22' ' ' ILE . 0.4 OUTLIER -98.96 135.93 39.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.728 -179.394 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.581 ' N ' HD13 ' B' ' 18' ' ' LEU . . . -133.6 179.48 6.19 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.721 179.611 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 20' ' ' SER . . . . . 0.431 ' O ' ' HG2' ' B' ' 54' ' ' GLU . 88.1 p -147.27 144.49 28.88 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -179.55 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -119.69 177.77 4.83 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.919 179.64 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.405 HG13 ' HB ' ' B' ' 53' ' ' THR . 38.0 mm -128.17 141.3 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.092 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.653 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 12.1 p90 -147.63 175.48 10.84 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.249 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.516 HG23 ' O ' ' B' ' 43' ' ' ASP . 24.7 t -93.88 125.46 46.47 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-O 120.838 0.351 . . . . 0.0 110.997 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.453 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 14.2 tptm -75.22 -42.0 56.46 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.663 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -170.96 174.4 4.77 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.885 0.374 . . . . 0.0 111.412 -179.411 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 27' ' ' ILE . . . . . 0.458 ' CD1' HG22 ' B' ' 39' ' ' ILE . 8.9 mm -123.25 133.22 69.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.623 179.398 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -77.88 145.25 36.33 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.707 0.289 . . . . 0.0 111.025 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.01 140.59 42.04 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.75 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 58.15 40.36 25.09 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.262 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 59.1 m -118.25 178.07 4.57 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.964 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.528 HD12 ' CD1' ' A' ' 14' ' ' TYR . 68.0 mt -56.22 -43.99 79.13 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.103 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.42 -45.59 91.13 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.296 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.8 -38.53 91.02 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.107 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 13.9 mmt-85 -73.51 -41.87 62.5 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.005 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.54 -33.67 74.52 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.465 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.12 29.23 73.78 Favored Glycine 0 C--N 1.335 0.516 0 C-N-CA 120.899 -0.667 . . . . 0.0 113.052 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.682 ' HB2' HG13 ' A' ' 3' ' ' VAL . 76.7 m-20 -110.12 -32.75 6.89 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.723 0.261 . . . . 0.0 111.442 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 39' ' ' ILE . . . . . 0.731 ' CG1' HG11 ' A' ' 3' ' ' VAL . 23.6 mt -97.05 133.02 40.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-O 120.731 0.301 . . . . 0.0 111.201 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -137.34 171.72 14.06 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -72.18 117.94 14.44 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.781 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.08 4.22 44.75 Favored Glycine 0 CA--C 1.523 0.593 0 C-N-CA 121.026 -0.607 . . . . 0.0 113.186 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' ASP . . . . . 0.642 ' HB3' HG11 ' B' ' 76' ' ' VAL . 0.7 OUTLIER -73.76 111.62 9.08 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 117.078 0.439 . . . . 0.0 110.837 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 23.4 t -80.24 104.85 9.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.982 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' VAL . . . . . 0.58 HG22 ' CG1' ' B' ' 76' ' ' VAL . 21.6 t -83.5 120.84 35.36 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.378 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.56 HD23 ' HG3' ' B' ' 47' ' ' LYS . 7.3 tt -92.87 -37.0 12.52 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.979 179.56 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 47' ' ' LYS . . . . . 0.56 ' HG3' HD23 ' B' ' 46' ' ' LEU . 19.9 mtpt -136.46 152.72 50.88 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.83 0.348 . . . . 0.0 111.496 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.486 ' HB ' HD13 ' B' ' 64' ' ' LEU . 26.0 mt -140.87 120.32 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.435 179.484 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 57.9 33.18 22.92 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 -179.403 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.79 33.89 32.56 Favored Glycine 0 C--N 1.336 0.556 0 C-N-CA 120.939 -0.648 . . . . 0.0 113.071 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.26 128.27 15.53 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.807 0.304 . . . . 0.0 110.995 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.696 HG12 ' H ' ' B' ' 54' ' ' GLU . 22.1 t -69.1 140.06 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.744 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.405 ' HB ' HG13 ' B' ' 22' ' ' ILE . 0.3 OUTLIER -114.45 20.94 15.03 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -179.569 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 54' ' ' GLU . . . . . 0.696 ' H ' HG12 ' B' ' 52' ' ' VAL . 9.8 tm-20 -92.84 145.77 24.14 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.91 0.386 . . . . 0.0 110.484 179.294 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 74.49 -1.72 3.01 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.095 -179.758 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 1.9 ttm -97.27 165.99 11.77 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.908 0.385 . . . . 0.0 110.987 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.15 151.85 39.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.741 179.627 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 39.2 tp -54.78 -30.67 57.44 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.572 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.36 -38.88 91.38 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.813 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.34 -43.41 83.37 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.891 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.63 -39.62 81.03 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.767 0.318 . . . . 0.0 110.749 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' LYS . . . . . 0.432 ' HA ' HD12 ' B' ' 65' ' ' ILE . 6.8 mtpt -64.9 -36.53 84.65 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.587 179.365 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.31 -42.73 96.17 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.005 179.451 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.486 HD13 ' HB ' ' B' ' 48' ' ' ILE . 2.7 mt -56.0 -36.98 68.52 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.824 0.345 . . . . 0.0 110.148 179.581 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 65' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' B' ' 62' ' ' LYS . 17.8 mt -73.59 -32.03 34.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.774 179.111 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -71.24 -46.72 60.44 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.773 0.321 . . . . 0.0 110.972 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -61.06 -26.74 67.85 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.495 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 68' ' ' SER . . . . . 0.459 ' CB ' ' HG ' ' B' ' 72' ' ' LEU . 36.5 m -64.53 95.9 0.15 Allowed 'General case' 0 CA--C 1.53 0.198 0 CA-C-O 120.886 0.374 . . . . 0.0 111.068 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.58 -33.83 35.74 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.437 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -121.62 -98.39 1.54 Allowed Glycine 0 C--N 1.337 0.616 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.973 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -80.73 146.77 30.87 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.787 0.327 . . . . 0.0 111.068 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.487 HD12 ' CE2' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -121.16 119.37 32.16 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 3.4 tttt -103.24 129.06 50.08 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.591 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 22.2 mtp -137.6 122.68 19.12 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.028 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 20.3 t -98.74 112.61 31.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.929 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.642 HG11 ' HB3' ' B' ' 43' ' ' ASP . 6.0 m -109.4 175.62 1.54 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.388 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.266 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.967 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.6 pttp . . . . . 0 C--O 1.233 0.223 0 CA-C-O 120.653 0.263 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.648 HG13 ' HB2' ' B' ' 38' ' ' ASN . 21.0 t -114.82 131.66 66.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.169 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.426 HG22 ' HD2' ' B' ' 71' ' ' LYS . 0.6 OUTLIER -128.96 105.59 8.31 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.776 179.718 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 75.7 mt -100.35 142.76 31.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.587 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.0 t -113.18 101.57 12.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.952 0.406 . . . . 0.0 111.164 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.44 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--O 1.233 0.221 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.955 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.234 0.246 0 CA-C-O 120.729 0.3 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.796 ' CE2' HD12 ' B' ' 72' ' ' LEU . 38.1 m-85 -57.95 -42.63 85.36 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.198 -179.587 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 50.32 53.8 22.59 Favored Glycine 0 C--N 1.336 0.583 0 C-N-CA 121.401 -0.428 . . . . 0.0 112.972 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.726 HD23 ' HB3' ' A' ' 14' ' ' TYR . 2.4 pp -124.84 124.94 43.16 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.887 0.375 . . . . 0.0 111.071 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.51 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.3 OUTLIER -72.36 121.55 19.69 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.692 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.704 HD11 ' CG2' ' B' ' 22' ' ' ILE . 0.6 OUTLIER -100.37 135.38 41.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.612 -179.314 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.609 ' N ' HD13 ' A' ' 18' ' ' LEU . . . -137.29 177.0 8.21 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.788 179.497 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 83.0 p -142.11 155.43 45.35 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.109 0.481 . . . . 0.0 111.609 -179.59 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.419 ' O ' HD13 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -122.06 178.73 4.78 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.265 179.586 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.767 HG23 HD11 ' B' ' 18' ' ' LEU . 29.3 mm -131.55 139.32 50.95 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.156 0 CA-C-O 120.705 0.288 . . . . 0.0 111.248 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.471 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 8.8 p90 -149.47 177.39 9.76 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.056 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.1 t -104.29 111.76 35.17 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.927 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.466 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 1.5 tttp -62.64 -49.84 73.57 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.441 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -162.58 174.81 12.12 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.094 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.6 mp -123.99 146.96 28.63 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.067 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.5 t -90.93 151.28 21.17 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.871 0.367 . . . . 0.0 111.109 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -75.81 159.59 30.86 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.683 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.1 p30 42.33 34.88 0.55 Allowed 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.911 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.0 m -111.1 174.78 5.7 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.882 0.372 . . . . 0.0 110.594 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.424 HD22 ' O ' ' B' ' 6' ' ' VAL . 23.6 mt -58.37 -41.88 85.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.83 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.526 ' CB ' HD13 ' A' ' 39' ' ' ILE . . . -60.86 -41.77 96.56 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.183 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.84 -39.86 87.77 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.353 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.39 -47.63 54.99 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.362 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.2 -37.71 88.45 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.598 0.237 . . . . 0.0 111.389 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.45 40.58 96.36 Favored Glycine 0 C--N 1.334 0.459 0 C-N-CA 121.172 -0.537 . . . . 0.0 113.125 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.496 ' CB ' HG13 ' B' ' 3' ' ' VAL . 40.7 m-80 -122.33 8.84 9.69 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.556 HG13 HG11 ' B' ' 3' ' ' VAL . 2.0 mp -129.08 139.74 51.08 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-O 120.629 0.252 . . . . 0.0 111.231 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -132.1 156.2 46.77 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.009 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -67.83 121.48 16.1 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.629 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.38 -16.98 57.47 Favored Glycine 0 CA--C 1.523 0.583 0 C-N-CA 120.89 -0.671 . . . . 0.0 113.006 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.16 128.04 34.97 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.87 0.335 . . . . 0.0 111.218 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 28.2 t -83.24 135.02 25.64 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.411 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 24.8 t -104.84 124.44 59.48 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.99 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -91.7 -45.69 8.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.822 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -133.42 156.7 47.21 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.386 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.2 mt -139.56 128.02 27.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.509 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.5 t30 55.21 30.58 14.84 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.305 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.44 34.31 36.45 Favored Glycine 0 C--N 1.337 0.622 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.926 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.81 144.63 28.32 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.652 0.263 . . . . 0.0 110.863 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.633 HG12 ' H ' ' A' ' 54' ' ' GLU . 21.9 t -73.19 144.38 12.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.791 179.72 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.458 ' HB ' HG13 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -128.51 20.79 6.12 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.649 -179.834 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.633 ' H ' HG12 ' A' ' 52' ' ' VAL . 0.9 OUTLIER -80.98 150.3 28.98 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 120.937 0.399 . . . . 0.0 110.815 179.398 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 50.52 19.49 0.58 Allowed 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.302 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.2 tpp -99.26 162.42 13.06 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.721 0.296 . . . . 0.0 110.571 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 m -72.81 143.57 47.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.658 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 66.7 tp -54.8 -32.96 60.93 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.732 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -37.32 86.29 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.531 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -58.4 -42.32 86.86 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.48 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.05 -37.47 71.85 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.4 mttm -64.21 -36.66 84.79 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.655 179.388 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.11 -43.37 98.99 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.757 179.574 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.88 -37.76 69.24 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.375 179.564 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 33.5 mt -72.85 -32.44 40.23 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.804 179.147 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -73.69 -43.14 60.11 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.776 0.322 . . . . 0.0 110.736 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 -67.73 -23.02 65.21 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.706 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 73.6 m -54.73 111.71 0.87 Allowed 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 120.762 0.315 . . . . 0.0 110.917 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 23.3 mtmm -63.93 -33.09 74.93 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.422 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -174.82 -62.05 0.05 OUTLIER Glycine 0 C--N 1.334 0.427 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.046 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.6 pttt -83.73 128.34 34.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.817 0.341 . . . . 0.0 111.348 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.65 HD12 ' CZ ' ' B' ' 14' ' ' TYR . 0.6 OUTLIER -115.84 133.88 55.57 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.494 ' HG2' HG23 ' B' ' 4' ' ' THR . 86.8 mttt -125.58 105.77 9.27 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.067 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -114.0 128.76 56.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.804 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.404 HG22 ' HG2' ' B' ' 2' ' ' LYS . 18.1 t -97.81 131.78 44.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.753 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.448 ' CG2' ' HB ' ' B' ' 1' ' ' THR . 29.3 m -108.37 173.77 1.77 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.454 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 . . . . . 0 C--O 1.232 0.15 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 -179.864 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 1' ' ' THR . . . . . 0.448 ' HB ' ' CG2' ' A' ' 76' ' ' VAL . 61.9 m . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 120.672 0.273 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 2' ' ' LYS . . . . . 0.404 ' HG2' HG22 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -110.43 142.13 42.58 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.315 -179.565 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 3' ' ' VAL . . . . . 0.556 HG11 HG13 ' A' ' 39' ' ' ILE . 22.2 t -121.69 111.15 29.8 Favored 'Isoleucine or valine' 0 C--O 1.231 0.118 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.929 179.645 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 4' ' ' THR . . . . . 0.494 HG23 ' HG2' ' A' ' 73' ' ' LYS . 3.9 m -110.36 122.22 47.17 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.998 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.437 HD11 HD11 ' A' ' 39' ' ' ILE . 86.1 mt -121.23 156.67 31.95 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.845 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 6' ' ' VAL . . . . . 0.424 ' O ' HD22 ' A' ' 32' ' ' LEU . 18.6 t -133.43 102.07 4.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.867 0.365 . . . . 0.0 111.154 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.475 ' HB2' ' CE1' ' B' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.205 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.326 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 . . . . . 0 C--O 1.233 0.207 0 CA-C-O 120.774 0.321 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 14' ' ' TYR . . . . . 0.817 ' HB3' HD23 ' B' ' 16' ' ' LEU . 48.0 m-85 -60.3 -36.23 77.4 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.161 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.39 32.3 72.28 Favored Glycine 0 C--N 1.335 0.498 0 C-N-CA 120.993 -0.623 . . . . 0.0 112.848 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.817 HD23 ' HB3' ' B' ' 14' ' ' TYR . 2.8 pp -102.32 118.39 36.78 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.844 0.354 . . . . 0.0 110.781 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.466 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -75.79 109.56 9.49 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.481 179.867 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.767 HD11 HG23 ' A' ' 22' ' ' ILE . 1.7 tm? -95.14 136.18 35.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.242 -179.486 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.713 ' N ' HD13 ' B' ' 18' ' ' LEU . . . -137.36 167.15 22.17 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.108 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 59.8 p -132.96 141.3 48.25 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.823 0.344 . . . . 0.0 111.634 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -105.24 179.36 4.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.767 179.647 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.704 ' CG2' HD11 ' A' ' 18' ' ' LEU . 32.0 mm -132.31 140.08 48.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.412 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.458 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 12.9 p90 -149.42 177.47 9.67 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.369 179.737 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.2 t -101.32 113.2 36.77 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.074 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.51 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 4.0 tptt -64.06 -35.58 81.2 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.239 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -175.38 172.12 2.74 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.815 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 3.8 mp -126.53 133.08 69.49 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.956 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 69.5 m -76.82 157.3 31.63 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.007 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -84.18 152.24 24.37 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.116 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 59.8 32.78 21.5 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.258 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 52.1 p -114.33 174.26 6.04 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.779 0.323 . . . . 0.0 111.263 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.41 ' HB2' ' HA ' ' A' ' 14' ' ' TYR . 12.7 mt -61.26 -42.08 98.03 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.053 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.05 -43.26 99.15 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.655 0.264 . . . . 0.0 110.869 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.9 -36.78 78.44 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.986 179.448 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 -71.71 -43.86 65.19 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.631 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.07 -37.26 83.69 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.997 179.676 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.83 38.78 89.67 Favored Glycine 0 C--N 1.334 0.44 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.813 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.648 ' HB2' HG13 ' A' ' 3' ' ' VAL . 75.7 m-80 -125.67 4.72 7.48 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 39' ' ' ILE . . . . . 0.609 HD11 HG11 ' A' ' 3' ' ' VAL . 20.8 mm -127.16 108.35 18.45 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-O 120.704 0.287 . . . . 0.0 110.964 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.32 152.72 21.22 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.806 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -59.2 119.61 7.67 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.954 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.5 -11.8 46.97 Favored Glycine 0 CA--C 1.523 0.552 0 C-N-CA 120.783 -0.722 . . . . 0.0 113.181 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.81 123.85 15.57 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.969 0.385 . . . . 0.0 111.065 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.3 t -85.84 119.51 34.32 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' VAL . . . . . 0.716 ' HA ' HG12 ' B' ' 76' ' ' VAL . 23.5 t -88.15 138.6 18.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.262 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.859 HD21 HG12 ' B' ' 75' ' ' VAL . 2.3 pp -110.24 -37.52 5.52 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.338 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 47' ' ' LYS . . . . . 0.401 ' CG ' HD12 ' B' ' 46' ' ' LEU . 2.9 mtpp -142.21 155.64 45.28 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.924 0.392 . . . . 0.0 111.309 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.422 HG22 ' ND2' ' B' ' 49' ' ' ASN . 35.3 mt -140.58 122.66 15.34 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.468 179.356 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 49' ' ' ASN . . . . . 0.422 ' ND2' HG22 ' B' ' 48' ' ' ILE . 66.4 m-20 56.58 36.06 27.02 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.164 -179.457 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.27 31.41 51.9 Favored Glycine 0 CA--C 1.523 0.562 0 C-N-CA 120.948 -0.644 . . . . 0.0 113.264 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.14 132.66 17.7 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 117.014 0.407 . . . . 0.0 110.855 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.761 HG12 ' H ' ' B' ' 54' ' ' GLU . 29.5 t -68.7 136.93 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.712 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.521 HG23 ' CD1' ' B' ' 64' ' ' LEU . 0.2 OUTLIER -108.34 18.12 21.38 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.873 -179.712 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 54' ' ' GLU . . . . . 0.761 ' H ' HG12 ' B' ' 52' ' ' VAL . 9.7 tm-20 -80.83 151.79 28.53 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 179.226 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 61.28 7.11 1.56 Allowed 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.468 -179.163 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 2.1 ttm -97.32 148.4 23.19 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.712 0.291 . . . . 0.0 110.531 179.285 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.3 146.05 52.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.629 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 60.4 tp -53.66 -32.19 50.61 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.816 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.33 -40.21 81.68 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.807 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -57.46 -37.32 72.67 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.407 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.93 -38.08 81.35 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.105 178.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 62' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' B' ' 63' ' ' THR . 0.0 OUTLIER -61.71 -34.19 75.35 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.243 178.813 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 63' ' ' THR . . . . . 0.441 ' N ' ' HG3' ' B' ' 62' ' ' LYS . 0.2 OUTLIER -70.52 -41.94 71.9 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.995 179.691 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.521 ' CD1' HG23 ' B' ' 53' ' ' THR . 1.7 mt -55.38 -34.73 64.59 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.574 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 22.2 mt -70.7 -32.31 48.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.778 179.122 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -76.45 -39.77 52.42 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 120.836 0.351 . . . . 0.0 110.955 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -63.83 -26.03 68.44 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.417 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 44.1 t -47.73 113.24 0.67 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.805 0.336 . . . . 0.0 111.507 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.64 79.46 9.35 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.588 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.15 -77.7 2.09 Favored Glycine 0 C--N 1.333 0.369 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.753 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 71' ' ' LYS . . . . . 0.426 ' HD2' HG22 ' A' ' 4' ' ' THR . 1.7 mtmm -84.18 139.77 32.18 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-O 120.792 0.33 . . . . 0.0 111.274 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.796 HD12 ' CE2' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -119.53 115.94 25.06 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.654 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.39 115.52 29.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.504 179.611 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -124.22 126.54 46.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.144 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.859 HG12 HD21 ' B' ' 46' ' ' LEU . 14.0 t -106.99 128.46 61.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.655 179.528 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.716 HG12 ' HA ' ' B' ' 45' ' ' VAL . 28.9 m -131.67 177.26 7.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.396 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.464 0.232 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.955 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.465 0.295 0 CA-C-O 120.892 0.377 . . . . 0.0 111.312 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.651 HG12 ' CD2' ' A' ' 5' ' ' LEU . 23.5 t -116.21 127.21 73.87 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.936 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.447 ' C ' HD22 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -128.37 114.55 16.99 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.001 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.651 ' CD2' HG12 ' A' ' 3' ' ' VAL . 3.4 mm? -110.19 152.87 25.54 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.959 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.2 t -119.8 99.43 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.056 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.546 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.464 0.232 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.141 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 . . . . . 0 N--CA 1.455 -0.219 0 CA-C-O 120.693 0.282 . . . . 0.0 110.681 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.671 ' HA ' HD12 ' B' ' 32' ' ' LEU . 60.3 m-85 -57.93 -40.85 81.47 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.265 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.97 42.57 77.27 Favored Glycine 0 C--N 1.334 0.432 0 C-N-CA 120.997 -0.621 . . . . 0.0 113.09 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.587 HD23 ' HB3' ' A' ' 14' ' ' TYR . 3.3 pp -128.41 124.58 36.63 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.892 0.377 . . . . 0.0 110.781 179.659 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.483 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 2.6 mmm180 -81.7 115.61 21.03 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.746 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.534 HD23 ' CD1' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -93.97 139.51 30.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.909 0.385 . . . . 0.0 111.405 -179.769 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.53 ' HA ' HD11 ' B' ' 58' ' ' LEU . . . -140.37 172.22 13.04 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.935 179.506 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 99.2 p -132.16 145.69 51.53 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.888 0.375 . . . . 0.0 111.78 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -117.61 177.84 4.61 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.147 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.779 ' CG2' HD11 ' B' ' 18' ' ' LEU . 29.0 mm -131.94 141.68 44.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.239 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.433 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 10.1 p90 -149.64 178.57 8.73 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.376 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.2 t -102.54 124.78 56.74 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.112 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.2 tptt -78.3 -36.54 46.43 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.389 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -173.4 171.11 4.05 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.671 0.272 . . . . 0.0 111.453 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.418 HG12 ' HG3' ' A' ' 41' ' ' GLU . 7.5 mm -121.75 147.49 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.981 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.0 t -90.14 148.78 22.77 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.899 0.38 . . . . 0.0 111.211 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.3 mp0 -83.04 146.17 28.88 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.444 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.3 t0 57.92 34.15 24.0 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.987 -179.403 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.9 p -113.98 -178.98 3.51 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.821 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.795 HD11 ' HA ' ' B' ' 7' ' ' LYS . 13.8 mt -60.23 -41.09 92.38 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.18 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.23 -44.64 88.31 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.186 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.77 -35.8 77.53 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.281 179.659 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.1 ttt85 -73.73 -39.89 63.96 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.095 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.405 ' CG ' HD23 ' B' ' 5' ' ' LEU . 0.2 OUTLIER -77.17 -35.28 56.05 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.498 -179.787 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.32 49.09 59.28 Favored Glycine 0 C--N 1.334 0.454 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.79 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.657 ' HB2' HG13 ' B' ' 3' ' ' VAL . 29.3 m120 -126.5 -46.8 1.59 Allowed 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.728 0.264 . . . . 0.0 111.602 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.53 ' CD1' HG11 ' B' ' 3' ' ' VAL . 3.3 mp -85.4 140.95 15.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-O 120.682 0.277 . . . . 0.0 111.314 -179.691 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -136.7 169.2 18.12 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.171 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.418 ' HG3' HG12 ' A' ' 27' ' ' ILE . 4.4 mt-10 -72.84 118.47 15.81 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.793 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.77 -9.87 48.25 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 120.917 -0.658 . . . . 0.0 113.268 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.38 140.01 46.83 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 117.042 0.421 . . . . 0.0 110.814 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 28.2 t -104.35 105.57 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.189 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.707 ' HA ' HG12 ' A' ' 76' ' ' VAL . 21.9 t -86.19 133.21 30.26 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.583 ' C ' HD22 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -119.05 -8.88 10.13 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 179.599 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.456 ' N ' HD13 ' A' ' 46' ' ' LEU . 1.5 mttt -153.76 144.35 22.47 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.697 0.284 . . . . 0.0 110.957 179.182 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.809 HD12 HD13 ' A' ' 64' ' ' LEU . 21.0 mt -135.29 118.73 24.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.547 179.286 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 45.8 m-20 56.96 34.75 25.4 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.103 -179.382 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.59 36.24 30.26 Favored Glycine 0 C--N 1.336 0.581 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.959 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.17 125.56 13.14 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.698 0.285 . . . . 0.0 110.732 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.484 HG12 ' H ' ' A' ' 54' ' ' GLU . 19.2 t -70.88 134.52 29.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.023 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.446 HG21 HD12 ' A' ' 48' ' ' ILE . 0.6 OUTLIER -113.35 37.26 3.25 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.301 179.823 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.484 ' H ' HG12 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -95.23 143.45 26.62 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.085 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.44 ' HB3' HD22 ' B' ' 58' ' ' LEU . 2.3 m120 67.3 9.89 7.32 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.939 -179.503 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -100.58 162.76 12.71 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.781 0.324 . . . . 0.0 111.291 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.5 m -73.91 147.15 43.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.609 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.7 tp -55.08 -31.13 60.96 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.801 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.08 -40.02 94.42 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.16 -43.07 87.22 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.781 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.55 -39.23 76.18 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.557 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.1 mtpt -64.16 -39.23 93.57 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.368 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.85 -40.76 98.44 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.209 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.809 HD13 HD12 ' A' ' 48' ' ' ILE . 0.7 OUTLIER -55.89 -35.04 66.09 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.691 0.282 . . . . 0.0 110.651 179.799 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 24.4 mt -74.17 -31.41 29.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.668 179.225 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -74.75 -41.51 59.96 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.91 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -64.6 -25.5 68.0 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.357 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.456 ' CB ' ' HG ' ' A' ' 72' ' ' LEU . 58.1 m -62.99 106.84 0.89 Allowed 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.848 0.356 . . . . 0.0 111.235 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.11 80.86 2.03 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.741 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 116.15 -94.81 0.66 Allowed Glycine 0 C--N 1.332 0.312 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.607 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 48.2 mttm -87.82 142.27 27.94 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 120.695 0.283 . . . . 0.0 111.181 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.735 HD12 ' CE2' ' B' ' 14' ' ' TYR . 0.5 OUTLIER -120.77 136.83 54.78 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 179.879 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -119.46 124.62 46.93 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.697 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 8.0 mtm -132.73 122.2 24.21 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.048 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.2 t -103.57 133.06 48.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.956 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.707 HG12 ' HA ' ' A' ' 45' ' ' VAL . 29.4 m -129.65 177.19 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.394 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 . . . . . 0 CA--C 1.53 0.204 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.962 179.454 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 13.8 p . . . . . 0 N--CA 1.493 1.704 0 CA-C-O 120.691 0.281 . . . . 0.0 111.709 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 42.5 mttt -125.81 128.15 47.23 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.779 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 3' ' ' VAL . . . . . 0.657 HG13 ' HB2' ' A' ' 38' ' ' ASN . 33.5 t -103.5 129.7 55.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.012 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 29.2 m -127.8 108.85 11.07 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.8 0.333 . . . . 0.0 110.933 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.45 HD11 ' CD1' ' A' ' 39' ' ' ILE . 46.6 mt -102.85 153.67 19.96 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.641 179.669 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 15.6 t -125.99 99.94 6.32 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-O 120.835 0.35 . . . . 0.0 111.247 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.795 ' HA ' HD11 ' A' ' 32' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.189 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.917 0.389 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' TYR . . . . . 0.735 ' CE2' HD12 ' A' ' 72' ' ' LEU . 69.9 m-85 -74.36 -31.76 62.52 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.118 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.73 45.21 96.23 Favored Glycine 0 C--N 1.335 0.51 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.955 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.517 HD23 ' HB3' ' B' ' 14' ' ' TYR . 2.2 pp -115.37 114.66 25.41 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.002 0.43 . . . . 0.0 110.777 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 2.2 ttm-85 -74.22 111.6 9.56 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.59 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.779 HD11 ' CG2' ' A' ' 22' ' ' ILE . 0.8 OUTLIER -97.4 134.23 40.93 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.611 -179.276 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.65 ' N ' HD13 ' B' ' 18' ' ' LEU . . . -133.34 165.06 25.7 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.562 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 84.1 p -126.13 148.73 49.32 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 121.081 0.467 . . . . 0.0 111.765 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' HIS . . . . . 0.408 ' O ' HD13 ' B' ' 22' ' ' ILE . 0.1 OUTLIER -119.38 179.09 4.3 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.792 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.43 HG13 ' HB ' ' B' ' 53' ' ' THR . 21.8 mm -132.68 141.9 43.85 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.12 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.454 ' O ' HD13 ' A' ' 18' ' ' LEU . 12.8 p90 -149.5 175.48 11.46 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.965 179.719 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.409 HG21 HG23 ' B' ' 39' ' ' ILE . 42.6 t -104.8 116.08 47.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.991 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.483 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 1.7 tptm -56.49 -46.97 80.22 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.415 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -171.98 172.68 4.65 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.892 0.377 . . . . 0.0 111.383 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 27' ' ' ILE . . . . . 0.586 ' CD1' HG22 ' B' ' 39' ' ' ILE . 5.7 mm -114.91 141.4 31.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.454 179.381 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 22.0 p -93.5 138.28 31.95 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.732 0.301 . . . . 0.0 110.539 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -69.78 151.57 45.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.291 -179.498 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 58.91 45.43 15.17 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.183 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 2.7 m -134.55 175.07 9.87 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.218 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.671 HD12 ' HA ' ' A' ' 14' ' ' TYR . 42.7 mt -55.43 -43.75 75.65 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.55 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.91 -48.0 83.47 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.631 0.253 . . . . 0.0 111.218 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.68 -35.39 80.4 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.215 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 -75.94 -41.05 52.82 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.32 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.16 -34.71 75.39 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.539 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.03 43.71 80.64 Favored Glycine 0 C--N 1.334 0.444 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.932 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.648 ' CB ' HG13 ' A' ' 3' ' ' VAL . 91.0 m-20 -123.55 -57.6 1.64 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.601 0.239 . . . . 0.0 111.06 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 39' ' ' ILE . . . . . 0.586 HG22 ' CD1' ' B' ' 27' ' ' ILE . 3.9 mt -68.9 134.96 29.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -121.34 171.15 8.96 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.418 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.432 ' HG3' HG12 ' B' ' 27' ' ' ILE . 1.2 mt-10 -81.04 99.95 8.73 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.057 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.27 6.36 36.44 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 121.017 -0.611 . . . . 0.0 114.124 179.63 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -65.18 142.06 58.46 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 117.548 0.674 . . . . 0.0 110.803 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.9 t -91.31 116.17 31.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.072 -179.31 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 20.8 t -94.04 137.54 22.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.229 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.422 HD11 ' HG3' ' B' ' 77' ' ' GLN . 1.2 mt -112.64 -39.86 4.21 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.072 179.655 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -135.41 153.36 51.82 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.862 0.363 . . . . 0.0 111.558 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.695 ' HB ' HD13 ' B' ' 64' ' ' LEU . 29.7 mt -139.24 124.87 22.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.592 179.543 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 53.28 35.04 19.13 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.356 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.42 33.75 42.66 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.836 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.81 133.86 20.36 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.729 0.264 . . . . 0.0 110.665 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.575 HG12 ' H ' ' B' ' 54' ' ' GLU . 13.2 t -76.35 136.09 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.958 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.43 ' HB ' HG13 ' B' ' 22' ' ' ILE . 0.7 OUTLIER -116.72 29.86 7.68 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.497 179.766 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 54' ' ' GLU . . . . . 0.575 ' H ' HG12 ' B' ' 52' ' ' VAL . 1.0 OUTLIER -85.68 146.45 26.83 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 178.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 4.9 m120 63.86 10.94 5.58 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.122 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -100.09 164.34 12.02 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-O 120.745 0.307 . . . . 0.0 110.906 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 43.4 p -77.03 153.27 34.62 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.557 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.53 HD11 ' HA ' ' A' ' 19' ' ' ALA . 21.2 tp -57.13 -29.29 63.44 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.674 179.542 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.33 -39.98 94.99 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.845 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -57.9 -47.98 81.22 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.837 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.8 -38.39 75.45 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.783 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -33.2 75.4 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.462 179.312 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.96 -43.34 92.99 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.99 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.695 HD13 ' HB ' ' B' ' 48' ' ' ILE . 2.6 mt -54.69 -37.32 65.65 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.893 0.378 . . . . 0.0 110.423 179.68 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 65' ' ' ILE . . . . . 0.466 ' HA ' HD11 ' B' ' 72' ' ' LEU . 27.7 mt -75.5 -30.91 22.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.937 179.328 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -75.69 -47.74 24.94 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.691 0.282 . . . . 0.0 110.804 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.5 -27.82 69.4 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.558 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 6.6 t -58.09 114.17 2.24 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.691 0.282 . . . . 0.0 111.189 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt -84.47 -33.6 23.59 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.198 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -139.31 -111.31 0.96 Allowed Glycine 0 C--N 1.337 0.619 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.815 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 25.8 ttmt -61.81 145.18 53.39 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.884 0.373 . . . . 0.0 111.558 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.61 HD12 ' CZ ' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -133.07 131.4 40.55 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.002 179.816 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.08 145.13 30.93 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.564 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 10.2 mtm -149.24 121.61 8.45 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.823 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 21.9 t -99.17 120.84 49.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 33.8 m -118.97 160.75 18.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.637 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 77' ' ' GLN . . . . . 0.422 ' HG3' HD11 ' B' ' 46' ' ' LEU . 3.0 mt-30 . . . . . 0 C--O 1.233 0.223 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.01 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.549 ' HG3' HG22 ' B' ' 75' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.151 0 CA-C-O 120.899 0.38 . . . . 0.0 111.178 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.866 HG13 ' CB ' ' B' ' 38' ' ' ASN . 21.3 t -103.71 124.09 57.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.81 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.457 HG23 ' HG3' ' B' ' 73' ' ' LYS . 0.2 OUTLIER -127.82 113.22 15.66 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.846 0.355 . . . . 0.0 111.058 179.904 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.592 ' CD2' HG12 ' A' ' 3' ' ' VAL . 2.7 mm? -107.08 159.47 16.28 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.401 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.6 t -139.49 101.26 1.45 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-O 120.813 0.34 . . . . 0.0 111.285 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.603 ' HA ' HD11 ' B' ' 32' ' ' LEU . 15.9 ptpt . . . . . 0 C--N 1.332 -0.189 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.934 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 . . . . . 0 CA--C 1.532 0.277 0 CA-C-O 120.818 0.342 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.81 ' HB3' HD23 ' A' ' 16' ' ' LEU . 67.3 m-85 -72.52 -38.96 67.93 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.454 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.15 49.51 74.91 Favored Glycine 0 C--N 1.335 0.506 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.526 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.81 HD23 ' HB3' ' A' ' 14' ' ' TYR . 3.0 pp -121.97 132.09 54.35 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.774 0.321 . . . . 0.0 110.88 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.491 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 1.2 mmt180 -90.0 114.21 26.02 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.76 HD11 HG23 ' B' ' 22' ' ' ILE . 0.8 OUTLIER -103.29 133.89 47.6 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.89 -179.906 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.674 ' N ' HD13 ' A' ' 18' ' ' LEU . . . -138.34 165.14 27.52 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.167 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 88.6 p -131.82 151.32 51.76 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.204 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -115.9 177.84 4.53 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.4 mm -133.16 114.19 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.71 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.763 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 19.7 p90 -118.35 -175.98 2.98 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 120.814 0.34 . . . . 0.0 111.279 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -95.65 118.13 41.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 120.885 0.374 . . . . 0.0 111.596 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.484 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 23.3 tptm -74.97 -38.08 61.77 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.139 179.489 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -175.02 174.02 2.55 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.895 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.2 mp -139.89 136.37 38.69 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.754 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.9 m -87.76 150.8 23.36 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.236 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -79.74 161.17 25.91 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.828 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 59.56 28.0 17.31 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.174 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.2 m -118.15 169.68 9.49 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.848 0.356 . . . . 0.0 110.966 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' B' ' 14' ' ' TYR . 5.3 mt -59.14 -38.49 79.8 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.177 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.95 -45.12 95.08 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.569 0.223 . . . . 0.0 111.01 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.6 -39.43 88.37 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.903 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.34 -39.99 67.72 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.965 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -69.31 -36.83 77.39 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.049 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.72 28.78 73.95 Favored Glycine 0 C--N 1.334 0.434 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.669 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.615 ' HB3' HG13 ' B' ' 3' ' ' VAL . 4.2 m-80 -108.75 -23.49 11.75 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.758 0.279 . . . . 0.0 111.739 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.709 ' CD1' HD11 ' B' ' 5' ' ' LEU . 1.7 mp -108.36 100.89 11.69 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-O 120.758 0.313 . . . . 0.0 110.889 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.16 152.86 23.99 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.666 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -58.88 128.62 38.11 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.832 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.34 -23.97 31.55 Favored Glycine 0 CA--C 1.522 0.521 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.929 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.95 132.42 53.97 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.838 0.319 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 20.2 t -96.93 122.71 48.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.273 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.5 t -94.54 144.74 9.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.05 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.506 HD11 ' HB2' ' A' ' 77' ' ' GLN . 5.8 mp -119.19 -36.98 3.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.497 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.48 ' O ' HD13 ' A' ' 48' ' ' ILE . 0.3 OUTLIER -129.13 150.08 50.67 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 121.028 0.442 . . . . 0.0 111.876 -179.334 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.652 ' HB ' HD13 ' A' ' 64' ' ' LEU . 8.9 mm -131.23 110.03 17.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.396 179.431 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 56.54 35.26 25.75 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.404 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.17 25.84 42.73 Favored Glycine 0 CA--C 1.521 0.452 0 C-N-CA 120.865 -0.683 . . . . 0.0 113.131 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -140.32 122.55 15.86 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.854 0.327 . . . . 0.0 110.46 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.538 HG12 ' H ' ' A' ' 54' ' ' GLU . 22.7 t -67.45 133.85 30.98 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.137 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.056 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -112.93 36.45 3.48 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.169 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.538 ' H ' HG12 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -89.91 142.05 28.07 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.23 179.249 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.624 ' HB3' HD22 ' B' ' 58' ' ' LEU . 1.3 m120 65.62 12.18 8.05 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.863 -179.641 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -98.4 163.73 12.58 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.899 0.38 . . . . 0.0 110.994 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.3 p -76.99 151.48 35.62 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.8 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.433 HD11 ' HA ' ' B' ' 19' ' ' ALA . 12.5 tp -58.66 -27.74 65.05 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.913 179.641 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.37 -40.53 81.4 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.365 179.466 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -55.52 -39.91 71.14 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.591 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.63 -41.09 85.15 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.008 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -60.93 -38.48 85.98 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.971 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.74 -46.65 84.19 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.195 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.652 HD13 ' HB ' ' A' ' 48' ' ' ILE . 1.3 mt -56.89 -36.49 70.19 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.558 179.621 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 28.2 mt -74.05 -31.43 30.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.493 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -71.7 -44.82 63.54 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.922 179.624 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -61.4 -28.46 69.26 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.46 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.439 ' CB ' ' HG ' ' A' ' 72' ' ' LEU . 43.1 m -62.93 90.51 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 120.846 0.355 . . . . 0.0 110.959 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.22 -27.58 64.59 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.197 -179.418 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -143.08 -79.13 0.05 OUTLIER Glycine 0 C--N 1.335 0.493 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.936 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.57 148.18 27.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.823 0.344 . . . . 0.0 111.276 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.465 HD12 ' CZ ' ' B' ' 14' ' ' TYR . 0.5 OUTLIER -130.39 139.82 50.62 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.694 179.917 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -126.7 132.91 51.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.854 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.6 mtp -142.67 129.45 20.47 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.856 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 22.0 t -100.77 125.54 54.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.791 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.409 HG23 ' HB ' ' B' ' 1' ' ' THR . 31.3 m -113.57 179.51 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.65 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.506 ' HB2' HD11 ' A' ' 46' ' ' LEU . 0.2 OUTLIER . . . . . 0 CA--C 1.532 0.261 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.277 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 1' ' ' THR . . . . . 0.409 ' HB ' HG23 ' A' ' 76' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 120.79 0.329 . . . . 0.0 111.327 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -134.59 137.08 43.43 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 3' ' ' VAL . . . . . 0.615 HG13 ' HB3' ' A' ' 38' ' ' ASN . 26.2 t -118.66 126.05 74.89 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 3.1 m -128.87 106.11 8.68 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.893 0.378 . . . . 0.0 110.939 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.709 HD11 ' CD1' ' A' ' 39' ' ' ILE . 82.9 mt -96.32 146.31 24.84 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.779 179.681 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 23.1 t -120.88 101.12 10.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.153 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt . . . . . 0 C--O 1.233 0.192 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.398 179.583 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.743 0.306 . . . . 0.0 110.794 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' TYR . . . . . 0.469 ' HA ' HD12 ' A' ' 32' ' ' LEU . 69.6 m-85 -57.93 -36.89 73.13 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.197 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.02 45.54 95.07 Favored Glycine 0 C--N 1.337 0.606 0 C-N-CA 121.124 -0.56 . . . . 0.0 112.756 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.605 ' O ' HD12 ' B' ' 16' ' ' LEU . 2.2 pp -120.81 128.06 52.51 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-O 120.934 0.397 . . . . 0.0 111.185 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.685 ' C ' HD23 ' B' ' 18' ' ' LEU . 0.0 OUTLIER -101.56 137.74 39.48 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.339 179.663 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.685 HD23 ' C ' ' B' ' 17' ' ' ARG . 0.9 OUTLIER -120.4 169.19 10.54 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 121.688 0.756 . . . . 0.0 111.77 179.664 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.763 ' HB3' ' CZ ' ' A' ' 23' ' ' PHE . . . -157.67 160.73 38.3 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.258 -1.337 . . . . 0.0 109.756 178.609 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 71.6 p -117.62 143.4 46.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.14 0.495 . . . . 0.0 111.997 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' HIS . . . . . 0.412 ' O ' HD13 ' B' ' 22' ' ' ILE . 0.1 OUTLIER -113.25 179.8 3.86 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.29 179.561 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.76 HG23 HD11 ' A' ' 18' ' ' LEU . 28.3 mm -132.63 138.11 52.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.684 0.278 . . . . 0.0 111.177 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.567 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 10.9 p90 -148.91 174.65 12.02 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.116 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.2 t -106.48 115.08 47.3 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.13 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.025 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.491 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 2.4 tptm -63.06 -41.05 99.36 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.235 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.416 ' CG ' ' HG3' ' A' ' 17' ' ' ARG . 11.0 pt-20 -179.25 172.95 1.17 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.059 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 27' ' ' ILE . . . . . 0.557 HG23 ' HB3' ' B' ' 33' ' ' ALA . 3.0 mp -124.04 140.99 45.77 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.945 179.628 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 15.6 m -72.13 152.85 42.03 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.221 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -76.37 137.56 39.88 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.592 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.03 32.09 21.51 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.288 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.8 170.67 8.01 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.588 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.603 HD11 ' HA ' ' A' ' 7' ' ' LYS . 67.1 mt -55.42 -42.8 74.63 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.55 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.578 ' CB ' HD12 ' B' ' 39' ' ' ILE . . . -64.88 -51.9 59.44 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.383 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.52 -34.74 78.93 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.059 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 5.1 ttp85 -74.05 -41.79 61.24 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.99 -31.16 70.66 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.291 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.98 34.3 70.81 Favored Glycine 0 C--N 1.334 0.434 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.696 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.866 ' CB ' HG13 ' A' ' 3' ' ' VAL . 85.6 m-20 -112.76 -38.39 4.58 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.769 0.285 . . . . 0.0 111.453 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 39' ' ' ILE . . . . . 0.752 ' CG1' HG11 ' A' ' 3' ' ' VAL . 22.6 mt -93.18 135.26 28.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-O 120.709 0.29 . . . . 0.0 111.176 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -128.34 152.83 47.69 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -63.62 121.16 13.23 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.643 179.606 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.39 -16.94 54.68 Favored Glycine 0 CA--C 1.523 0.564 0 C-N-CA 120.726 -0.75 . . . . 0.0 113.176 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' ASP . . . . . 0.556 ' HB3' HG11 ' B' ' 76' ' ' VAL . 1.0 OUTLIER -53.46 122.83 10.5 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.907 0.354 . . . . 0.0 110.914 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 24.2 t -83.76 107.92 15.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' VAL . . . . . 0.448 ' HA ' HG12 ' B' ' 76' ' ' VAL . 21.2 t -76.54 136.19 25.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.144 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.36 -42.4 4.14 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.953 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -137.39 151.06 48.15 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.809 0.337 . . . . 0.0 111.438 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.777 ' HB ' HD13 ' B' ' 64' ' ' LEU . 21.3 mt -132.64 121.54 45.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.32 179.39 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 58.46 33.61 23.26 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.018 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.25 33.93 38.47 Favored Glycine 0 CA--C 1.523 0.556 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.764 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -146.06 131.9 19.08 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.782 0.291 . . . . 0.0 110.964 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.645 HG12 ' H ' ' B' ' 54' ' ' GLU . 17.4 t -64.72 146.29 13.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.836 179.756 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.431 ' HB ' HG13 ' B' ' 22' ' ' ILE . 1.7 m -128.55 24.46 5.8 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.543 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 54' ' ' GLU . . . . . 0.645 ' H ' HG12 ' B' ' 52' ' ' VAL . 3.7 tt0 -93.33 145.49 24.42 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.712 0.291 . . . . 0.0 110.289 179.238 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 2.2 m120 66.0 8.44 5.42 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 115.881 -0.599 . . . . 0.0 112.238 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.28 168.0 9.38 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.815 0.34 . . . . 0.0 111.028 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 51.5 p -74.88 146.22 42.07 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.633 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.624 HD22 ' HB3' ' A' ' 55' ' ' ASN . 9.2 tp -56.78 -31.4 64.6 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.684 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.32 -38.75 84.66 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.657 179.599 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -60.23 -43.32 96.15 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.8 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.46 -36.65 78.75 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.628 179.265 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -68.05 -32.76 73.33 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.02 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.33 -47.0 87.05 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.985 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.777 HD13 ' HB ' ' B' ' 48' ' ' ILE . 6.1 mt -58.81 -35.2 72.48 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.74 0.305 . . . . 0.0 110.421 179.472 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 65' ' ' ILE . . . . . 0.465 HG23 HD11 ' B' ' 72' ' ' LEU . 33.1 mt -74.99 -27.72 20.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.664 179.176 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.83 -39.69 34.83 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.815 0.34 . . . . 0.0 110.86 179.461 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 67' ' ' ARG . . . . . 0.571 HH12 HD23 ' B' ' 64' ' ' LEU . 7.9 ttp-105 -82.3 -3.94 56.25 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.073 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 68' ' ' SER . . . . . 0.45 ' CB ' ' HG ' ' B' ' 72' ' ' LEU . 89.3 p -55.73 113.94 1.68 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.889 0.376 . . . . 0.0 111.22 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 6.4 mtmt -85.38 65.0 8.97 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.154 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 70' ' ' GLY . . . . . 0.478 ' HA2' ' HG3' ' A' ' 7' ' ' LYS . . . 86.73 -65.42 3.77 Favored Glycine 0 C--N 1.335 0.504 0 C-N-CA 121.125 -0.559 . . . . 0.0 112.771 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 12.6 pttt -89.61 118.0 28.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.929 0.395 . . . . 0.0 111.712 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.802 HD12 ' CE2' ' A' ' 14' ' ' TYR . 0.6 OUTLIER -103.05 147.09 27.4 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.002 179.611 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 73' ' ' LYS . . . . . 0.457 ' HG3' HG23 ' A' ' 4' ' ' THR . 0.7 OUTLIER -125.49 129.76 50.42 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.433 179.307 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.426 ' SD ' HG21 ' B' ' 45' ' ' VAL . 0.1 OUTLIER -143.48 119.82 10.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.71 -179.892 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.549 HG22 ' HG3' ' A' ' 2' ' ' LYS . 21.7 t -104.43 118.32 51.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.11 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.556 HG11 ' HB3' ' B' ' 43' ' ' ASP . 9.6 m -109.04 158.35 8.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.383 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 . . . . . 0 CA--C 1.53 0.174 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.157 179.851 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.676 0.274 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.882 HG11 ' CD1' ' B' ' 39' ' ' ILE . 22.7 t -117.2 126.58 74.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.935 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.412 HG23 ' HG3' ' B' ' 73' ' ' LYS . 0.2 OUTLIER -128.85 112.18 13.86 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.832 0.348 . . . . 0.0 110.942 179.651 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.544 ' CD2' HG12 ' A' ' 3' ' ' VAL . 3.7 mm? -102.08 155.73 18.0 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.78 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 18.1 t -125.3 98.72 5.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-O 120.765 0.317 . . . . 0.0 110.87 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.58 ' HA ' HD11 ' B' ' 32' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.205 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.059 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.233 0.23 0 CA-C-O 120.87 0.367 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.786 ' HB3' HD23 ' A' ' 16' ' ' LEU . 36.3 m-85 -67.79 -44.89 76.33 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.526 -179.66 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.0 37.54 94.76 Favored Glycine 0 C--N 1.334 0.458 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.958 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.786 HD23 ' HB3' ' A' ' 14' ' ' TYR . 2.6 pp -118.83 117.03 27.77 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.968 0.413 . . . . 0.0 110.737 179.726 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.52 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -77.73 105.1 8.67 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.788 -179.775 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.608 HD11 ' CG2' ' B' ' 22' ' ' ILE . 0.2 OUTLIER -89.86 141.79 28.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.298 -179.722 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.565 ' HB2' ' HB2' ' B' ' 25' ' ' LYS . . . -143.09 172.9 12.09 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.093 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.494 ' CB ' HD13 ' B' ' 58' ' ' LEU . 59.1 p -131.46 145.04 51.6 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.948 0.404 . . . . 0.0 111.435 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -109.94 171.66 7.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.858 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.801 HG13 HG22 ' A' ' 53' ' ' THR . 27.9 mm -133.8 133.9 56.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.87 179.685 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.452 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 10.2 p90 -145.5 177.98 8.45 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.181 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 50.4 t -106.02 113.22 42.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.963 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.445 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 0.5 OUTLIER -55.8 -42.88 76.29 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.449 179.469 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -173.2 174.1 3.46 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.831 0.348 . . . . 0.0 111.255 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.559 ' CD1' HG22 ' A' ' 39' ' ' ILE . 7.2 mm -110.92 134.46 53.14 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.818 179.733 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.25 147.33 28.99 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.908 0.385 . . . . 0.0 111.082 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.09 148.56 41.76 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.076 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 56.7 37.77 29.04 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.922 -179.677 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.42 ' CB ' ' HA3' ' B' ' 15' ' ' GLY . 41.4 m -117.3 170.03 9.01 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.193 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.449 HD12 ' HA ' ' B' ' 14' ' ' TYR . 5.6 mt -59.4 -40.84 87.92 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.347 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.438 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -58.34 -38.58 77.47 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.652 0.263 . . . . 0.0 111.13 179.491 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.76 -34.99 77.9 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.254 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.83 -44.14 23.67 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.059 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -62.23 -38.85 90.8 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.464 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.26 39.68 71.1 Favored Glycine 0 C--N 1.334 0.453 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.749 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.706 ' HB3' HG22 ' B' ' 3' ' ' VAL . 8.1 m-80 -122.93 -50.5 1.94 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.672 0.273 . . . . 0.0 110.93 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.801 HD11 HD11 ' B' ' 5' ' ' LEU . 23.3 mt -74.11 119.14 20.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.587 179.573 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -108.51 171.13 7.59 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.279 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.35 102.15 5.8 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.99 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.76 6.27 37.91 Favored Glycine 0 CA--C 1.523 0.57 0 C-N-CA 121.141 -0.552 . . . . 0.0 114.053 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -61.64 139.78 58.24 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 117.511 0.656 . . . . 0.0 110.958 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.0 t -95.07 111.52 25.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.805 -179.408 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.3 t -81.95 138.25 19.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-O 120.894 0.378 . . . . 0.0 111.244 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.43 HD21 ' OE1' ' A' ' 77' ' ' GLN . 4.9 mp -109.23 -41.02 4.77 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.187 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.0 mttp -142.89 161.92 36.84 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.905 0.383 . . . . 0.0 112.019 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.419 HG23 ' HG2' ' A' ' 74' ' ' MET . 27.9 mt -139.81 121.57 15.86 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.757 179.439 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 43.01 38.06 1.33 Allowed 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.969 -179.548 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 83.95 40.3 8.82 Favored Glycine 0 C--N 1.336 0.543 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.788 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.9 m -147.53 131.68 17.36 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.693 0.247 . . . . 0.0 110.499 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.3 t -63.39 139.33 21.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 120.618 0.247 . . . . 0.0 110.964 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.801 HG22 HG13 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -114.19 40.68 2.45 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.084 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -121.01 143.28 49.13 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 178.801 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.434 ' OD1' ' HB1' ' A' ' 19' ' ' ALA . 4.2 m-80 69.25 6.42 5.66 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.464 -178.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.2 ttm -93.19 146.75 23.45 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.712 0.292 . . . . 0.0 110.85 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.0 t -69.93 146.95 50.81 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.8 179.699 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 60.3 tp -55.98 -32.19 63.7 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.825 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.434 ' O ' ' HG2' ' A' ' 62' ' ' LYS . 0.3 OUTLIER -73.01 -46.3 52.89 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.655 179.696 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -55.49 -35.56 65.7 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 120.709 0.29 . . . . 0.0 110.469 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.91 -35.27 80.62 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.693 179.076 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 59' ' ' THR . 1.1 ptmt -64.13 -35.11 79.71 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.397 179.145 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.84 -41.93 91.13 Favored 'General case' 0 C--O 1.23 0.064 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.02 179.519 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.04 -35.65 64.7 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.601 179.58 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 36.7 mt -69.24 -31.51 50.11 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 179.222 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -77.17 -38.89 50.76 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.794 0.33 . . . . 0.0 110.632 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -61.99 -27.87 69.17 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.592 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 80.3 p -54.24 109.42 0.48 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 121.014 0.435 . . . . 0.0 111.215 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -61.48 -37.74 84.74 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.28 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -162.02 -67.99 0.02 OUTLIER Glycine 0 C--N 1.335 0.482 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.457 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -81.56 133.02 35.33 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.848 0.356 . . . . 0.0 110.785 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.719 HD12 ' CE2' ' B' ' 14' ' ' TYR . 0.4 OUTLIER -118.24 117.73 29.92 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.956 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -103.82 130.33 51.36 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.609 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.419 ' HG2' HG23 ' A' ' 48' ' ' ILE . 40.1 mtm -142.81 129.03 19.85 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.614 -0.267 . . . . 0.0 110.99 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.8 t -99.05 126.4 52.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.715 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.3 m -113.97 168.34 6.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.928 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.43 ' OE1' HD21 ' A' ' 46' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--O 1.233 0.208 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.005 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 79.3 p . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 120.884 0.373 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.97 125.82 47.18 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.429 -179.578 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 3' ' ' VAL . . . . . 0.706 HG22 ' HB3' ' A' ' 38' ' ' ASN . 23.5 t -103.92 111.14 32.43 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.608 179.61 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 36.7 m -113.17 105.78 13.86 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.798 0.332 . . . . 0.0 110.655 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.801 HD11 HD11 ' A' ' 39' ' ' ILE . 26.6 mt -105.22 159.18 16.07 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.875 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 19.7 t -133.19 101.71 4.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.674 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.528 ' HB2' ' CE1' ' B' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.216 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.463 -179.661 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.45 -0.456 0 CA-C-O 120.718 0.294 . . . . 0.0 110.755 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' TYR . . . . . 0.719 ' CE2' HD12 ' A' ' 72' ' ' LEU . 82.5 m-85 -72.11 -28.2 63.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.237 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 15' ' ' GLY . . . . . 0.42 ' HA3' ' CB ' ' A' ' 31' ' ' SER . . . 61.3 45.7 95.94 Favored Glycine 0 C--N 1.336 0.548 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.904 179.572 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.663 HD23 ' HB3' ' B' ' 14' ' ' TYR . 2.0 pp -120.87 114.01 20.96 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.0 0.428 . . . . 0.0 110.687 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.445 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -71.55 109.34 5.43 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.249 179.832 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.746 HD11 ' CG2' ' A' ' 22' ' ' ILE . 0.4 OUTLIER -93.54 137.95 32.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.048 0.451 . . . . 0.0 111.79 -179.133 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.603 ' N ' HD13 ' B' ' 18' ' ' LEU . . . -136.08 176.18 8.93 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.742 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 87.6 p -137.64 148.94 46.19 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.011 0.434 . . . . 0.0 111.934 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -122.74 177.91 5.25 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.815 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.608 ' CG2' HD11 ' A' ' 18' ' ' LEU . 22.7 mm -131.81 137.9 53.97 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-O 120.76 0.314 . . . . 0.0 111.244 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.454 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 12.7 p90 -149.28 -178.14 6.23 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.39 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 15.2 t -107.83 113.14 42.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.747 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.565 ' HB2' ' HB2' ' A' ' 19' ' ' ALA . 12.5 tptt -60.98 -40.73 94.57 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.385 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.429 ' HA ' ' HG2' ' B' ' 41' ' ' GLU . 0.4 OUTLIER -173.1 174.67 3.38 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.757 0.313 . . . . 0.0 111.353 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 27' ' ' ILE . . . . . 0.654 ' CD1' HG22 ' B' ' 39' ' ' ILE . 7.9 mm -123.58 132.97 70.47 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.63 179.581 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 3.6 m -81.61 136.84 35.54 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.759 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -67.15 146.41 54.27 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.967 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 57.55 48.32 14.56 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 121.03 0.443 . . . . 0.0 110.688 -179.664 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 24.2 m -126.52 174.82 8.36 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.959 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.58 HD11 ' HA ' ' A' ' 7' ' ' LYS . 17.1 mt -60.81 -36.52 79.25 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.385 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.693 ' HB1' ' HB ' ' B' ' 39' ' ' ILE . . . -67.75 -36.25 80.2 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 120.517 0.199 . . . . 0.0 111.165 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.87 -51.1 52.02 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.133 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' B' ' 32' ' ' LEU . 0.0 OUTLIER -66.18 -38.77 88.85 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.955 179.626 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 36' ' ' ASP . . . . . 0.412 ' HB2' ' O ' ' B' ' 32' ' ' LEU . 16.0 t70 -62.83 -37.08 85.37 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.077 179.637 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.69 40.5 85.53 Favored Glycine 0 C--N 1.334 0.459 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.77 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.619 ' CB ' HG13 ' A' ' 3' ' ' VAL . 4.8 m-80 -127.85 -49.26 1.36 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.665 0.232 . . . . 0.0 111.159 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 39' ' ' ILE . . . . . 0.882 ' CD1' HG11 ' A' ' 3' ' ' VAL . 38.6 mm -79.77 119.61 29.51 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.053 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -121.74 169.53 10.64 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.987 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.429 ' HG2' ' HA ' ' B' ' 26' ' ' GLU . 10.1 mt-10 -75.41 119.43 19.49 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.778 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.89 -13.93 52.86 Favored Glycine 0 CA--C 1.523 0.568 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.949 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.33 130.45 39.06 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.803 0.302 . . . . 0.0 111.173 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 22.1 t -96.93 97.79 6.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.719 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' VAL . . . . . 0.401 HG22 HG12 ' B' ' 76' ' ' VAL . 30.0 t -80.12 111.3 16.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.163 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.4 -38.79 34.02 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.487 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 47' ' ' LYS . . . . . 0.749 ' CG ' HG22 ' B' ' 52' ' ' VAL . 2.0 mtpt -130.87 148.51 52.65 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.733 0.302 . . . . 0.0 111.382 -179.63 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.563 HG23 ' HG2' ' B' ' 74' ' ' MET . 36.1 mt -136.18 121.13 26.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.599 179.539 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 59.64 37.01 22.63 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.276 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.77 27.47 66.99 Favored Glycine 0 C--N 1.336 0.575 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.732 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.13 125.42 14.68 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.503 0.192 . . . . 0.0 110.553 -179.527 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.749 HG22 ' CG ' ' B' ' 47' ' ' LYS . 20.6 t -73.37 134.02 30.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.475 179.619 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.404 ' HB ' HG13 ' B' ' 22' ' ' ILE . 0.8 OUTLIER -110.38 34.73 3.76 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.943 179.836 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 54' ' ' GLU . . . . . 0.548 ' H ' HG12 ' B' ' 52' ' ' VAL . 0.4 OUTLIER -88.42 143.42 27.0 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.024 179.065 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 6.0 m120 62.22 16.56 8.5 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.743 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -108.95 169.73 8.49 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.751 0.31 . . . . 0.0 111.129 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.3 t -74.27 142.68 45.25 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.583 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.494 HD13 ' CB ' ' A' ' 20' ' ' SER . 44.6 tp -58.31 -33.09 69.09 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.711 179.529 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 59' ' ' THR . . . . . 0.446 ' O ' ' HG2' ' B' ' 62' ' ' LYS . 0.2 OUTLIER -63.55 -41.6 98.42 Favored 'General case' 0 N--CA 1.46 0.045 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.761 179.63 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -55.75 -36.92 67.82 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 120.64 0.257 . . . . 0.0 110.482 179.249 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.39 -35.15 80.07 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.805 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 62' ' ' LYS . . . . . 0.499 ' HA ' HD12 ' B' ' 65' ' ' ILE . 1.1 pttp -64.72 -34.89 79.39 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.389 179.179 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.07 -40.97 97.43 Favored 'General case' 0 N--CA 1.46 0.049 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.042 179.629 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.539 HD13 ' HB ' ' B' ' 48' ' ' ILE . 6.7 mt -55.23 -39.67 69.97 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.514 179.419 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 65' ' ' ILE . . . . . 0.629 ' HA ' HD11 ' B' ' 72' ' ' LEU . 12.7 mt -69.23 -32.49 53.95 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.858 179.294 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -76.36 -41.03 49.48 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.753 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 4.5 ttt85 -60.22 -31.04 69.8 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.363 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 12.0 t -54.15 107.54 0.28 Allowed 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.872 0.368 . . . . 0.0 111.287 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.58 -33.03 66.46 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.894 179.728 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -143.76 -85.06 0.07 OUTLIER Glycine 0 C--N 1.337 0.628 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.673 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.82 152.39 22.14 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.918 0.389 . . . . 0.0 111.482 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.701 HD12 ' CE2' ' A' ' 14' ' ' TYR . 0.4 OUTLIER -125.02 151.16 45.94 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.011 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 73' ' ' LYS . . . . . 0.453 ' H ' HD23 ' B' ' 72' ' ' LEU . 32.1 mttt -121.61 139.13 53.93 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.628 179.513 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.563 ' HG2' HG23 ' B' ' 48' ' ' ILE . 8.6 mtm -147.94 123.73 10.57 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.782 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 21.9 t -101.99 117.91 48.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.754 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.401 HG12 HG22 ' B' ' 45' ' ' VAL . 31.4 m -100.48 150.25 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.442 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.229 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.143 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.9 mtpp . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.658 0.266 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.883 HG13 ' HB2' ' B' ' 38' ' ' ASN . 39.6 t -103.4 125.93 57.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.4 m -128.89 105.88 8.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.679 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 67.2 mt -102.48 155.32 18.34 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.034 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.443 ' O ' HD22 ' B' ' 32' ' ' LEU . 21.3 t -124.97 99.56 6.27 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 CA-C-O 120.889 0.376 . . . . 0.0 111.172 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.454 ' HB2' ' CE1' ' A' ' 14' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.232 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.075 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.707 0.289 . . . . 0.0 110.772 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.793 ' HB3' HD23 ' A' ' 16' ' ' LEU . 48.8 m-85 -61.36 -27.7 68.7 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.077 179.631 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.52 33.45 59.0 Favored Glycine 0 C--N 1.337 0.62 0 C-N-CA 121.29 -0.481 . . . . 0.0 113.283 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.793 HD23 ' HB3' ' A' ' 14' ' ' TYR . 2.7 pp -107.58 115.58 30.4 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.945 0.402 . . . . 0.0 110.478 179.706 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.517 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.1 OUTLIER -72.32 108.37 5.42 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.552 -179.879 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.741 HD11 HG23 ' B' ' 22' ' ' ILE . 1.0 OUTLIER -96.69 127.42 42.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 -179.542 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.628 ' N ' HD13 ' A' ' 18' ' ' LEU . . . -135.04 165.62 24.93 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.968 179.7 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.413 ' OG ' ' HA ' ' A' ' 55' ' ' ASN . 56.6 p -119.31 152.67 36.34 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.87 0.366 . . . . 0.0 111.156 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -117.87 177.56 4.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.783 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 28.5 mm -132.85 126.83 54.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.881 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.825 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 21.6 p90 -129.79 174.67 9.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.595 HG21 HG23 ' A' ' 39' ' ' ILE . 25.3 t -98.21 111.89 29.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.09 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.494 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 8.5 tptt -67.65 -36.89 81.58 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.359 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -174.02 176.57 2.54 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.838 0.352 . . . . 0.0 111.229 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.548 HG21 ' HB3' ' A' ' 33' ' ' ALA . 3.6 mp -141.02 136.54 33.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.741 179.461 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.8 m -68.47 152.31 45.57 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.844 0.354 . . . . 0.0 111.251 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -79.02 144.06 35.05 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.927 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 57.13 32.13 21.18 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.23 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.1 p -99.75 -178.3 3.83 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.839 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.4 mt -59.96 -35.18 74.43 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.071 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.63 ' HB2' ' CD2' ' B' ' 16' ' ' LEU . . . -70.17 -38.77 75.48 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.087 179.611 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.06 -42.78 95.24 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.765 0.317 . . . . 0.0 111.033 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -35.36 69.02 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.72 179.401 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -73.36 -38.16 65.81 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.431 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.9 34.93 91.23 Favored Glycine 0 C--N 1.335 0.501 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.506 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.721 ' HB3' HG22 ' B' ' 3' ' ' VAL . 5.6 m-80 -112.33 -27.22 8.39 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.633 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.595 HG23 HG21 ' A' ' 24' ' ' VAL . 3.0 mt -107.59 132.73 54.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 120.646 0.26 . . . . 0.0 111.283 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -134.42 159.95 39.5 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -60.48 120.11 9.32 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.788 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.31 -16.76 44.88 Favored Glycine 0 CA--C 1.523 0.558 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.859 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.22 144.57 19.7 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 120.747 0.308 . . . . 0.0 111.347 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.5 t -108.45 122.4 62.91 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.023 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.9 t -93.1 130.65 41.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.399 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.04 -45.24 5.73 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.708 179.467 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.9 mtpt -137.58 153.42 49.94 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.392 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 30.4 mt -136.9 120.78 22.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.619 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 57.69 35.38 25.55 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.212 -179.511 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.92 31.18 54.31 Favored Glycine 0 CA--C 1.522 0.493 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.901 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.61 131.65 20.43 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.679 0.239 . . . . 0.0 110.706 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.44 HG12 ' H ' ' A' ' 54' ' ' GLU . 6.4 t -67.42 143.91 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.687 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.27 31.46 6.67 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.454 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.44 ' H ' HG12 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -88.76 148.71 23.81 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 120.717 0.294 . . . . 0.0 110.32 179.19 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.521 ' HB2' HD22 ' B' ' 58' ' ' LEU . 0.5 OUTLIER 53.19 17.24 0.94 Allowed 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.67 -0.696 . . . . 0.0 112.145 -179.334 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.1 ttm -95.03 142.88 26.99 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.652 0.263 . . . . 0.0 110.595 179.48 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.37 143.85 48.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.829 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.761 HD11 ' HA ' ' B' ' 19' ' ' ALA . 1.1 tp -53.13 -33.23 51.46 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.021 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.18 -40.8 64.52 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.757 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -55.43 -41.92 73.46 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.243 179.406 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.53 -36.63 78.89 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.555 179.108 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 63' ' ' THR . 0.0 OUTLIER -62.41 -32.94 73.86 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.658 179.312 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.424 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 0.2 OUTLIER -63.06 -41.84 99.55 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.97 179.58 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.84 -34.55 67.87 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.853 0.359 . . . . 0.0 110.224 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 16.9 mm -71.13 -31.91 46.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.691 179.133 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.68 -46.01 27.39 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.056 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -57.19 -32.82 66.85 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.977 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.429 ' CB ' ' HG ' ' A' ' 72' ' ' LEU . 75.2 m -70.58 97.09 1.27 Allowed 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.872 0.368 . . . . 0.0 110.752 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.76 38.85 1.39 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.035 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 172.6 -102.62 0.18 Allowed Glycine 0 C--N 1.334 0.431 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.558 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -84.24 130.5 34.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.81 0.338 . . . . 0.0 111.056 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.698 HD12 ' CZ ' ' B' ' 14' ' ' TYR . 0.4 OUTLIER -117.48 132.44 56.55 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.035 -179.889 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.0 mtmt -114.65 130.83 56.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.667 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 18.3 mtm -140.53 123.51 16.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.688 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.8 t -98.26 118.13 44.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.031 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 6.5 m -108.49 167.06 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.471 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 . . . . . 0 CA--C 1.531 0.213 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.54 -179.617 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 7.8 m . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 120.587 0.232 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 7.7 mttm -133.14 128.26 35.68 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.178 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 3' ' ' VAL . . . . . 0.721 HG22 ' HB3' ' A' ' 38' ' ' ASN . 43.8 t -104.16 126.97 58.77 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.818 179.732 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 1.5 m -128.94 105.65 8.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.779 0.323 . . . . 0.0 110.805 179.607 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 68.1 mt -100.17 152.13 20.62 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.745 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 25.6 t -127.24 101.52 7.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 120.861 0.363 . . . . 0.0 111.153 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.432 ' HB2' ' CE1' ' B' ' 14' ' ' TYR . 0.9 OUTLIER . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.736 179.693 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 C--O 1.233 0.201 0 CA-C-O 120.691 0.281 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 14' ' ' TYR . . . . . 0.698 ' CZ ' HD12 ' A' ' 72' ' ' LEU . 15.0 m-85 -66.8 -38.84 87.28 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.207 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.42 49.22 61.36 Favored Glycine 0 C--N 1.337 0.63 0 C-N-CA 121.131 -0.556 . . . . 0.0 112.429 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.63 ' CD2' ' HB2' ' A' ' 33' ' ' ALA . 0.6 OUTLIER -106.75 142.1 36.93 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.919 0.39 . . . . 0.0 111.535 -179.226 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.494 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -103.94 122.12 44.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.974 179.02 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.428 HD11 HG22 ' A' ' 24' ' ' VAL . 2.5 mp -124.71 153.42 42.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.081 0.467 . . . . 0.0 111.914 -179.51 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.825 ' HB3' ' CZ ' ' A' ' 23' ' ' PHE . . . -143.1 -177.18 5.23 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.821 179.643 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 20' ' ' SER . . . . . 0.616 ' HB3' HD12 ' A' ' 58' ' ' LEU . 53.5 p -132.05 149.96 52.28 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.954 0.407 . . . . 0.0 112.03 -179.693 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 21' ' ' HIS . . . . . 0.436 ' O ' HD13 ' B' ' 22' ' ' ILE . 0.1 OUTLIER -123.29 -179.34 4.27 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.447 179.57 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.741 HG23 HD11 ' A' ' 18' ' ' LEU . 40.5 mm -129.5 138.03 55.33 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-O 120.775 0.321 . . . . 0.0 111.173 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.587 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 6.3 p90 -146.79 178.81 8.03 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.039 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 19.6 t -108.0 110.96 33.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.038 179.639 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.517 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 10.2 tptm -56.08 -45.47 79.34 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.048 179.627 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -176.46 170.97 2.44 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.099 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 2.1 mt -117.97 131.99 69.09 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.169 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 60.1 m -78.82 150.3 32.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.149 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -74.74 152.11 39.1 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.975 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 57.7 33.15 22.88 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.097 -179.726 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 1.7 m -110.77 171.84 7.22 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.961 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.443 HD22 ' O ' ' A' ' 6' ' ' VAL . 18.5 mt -61.4 -40.32 93.94 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.221 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.443 ' HB2' HD12 ' B' ' 39' ' ' ILE . . . -64.94 -47.57 77.2 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.057 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.92 -38.25 87.7 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.996 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 55.4 mtp85 -71.1 -41.33 70.74 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.82 -32.73 69.88 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.682 -0.235 . . . . 0.0 111.28 179.732 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.25 39.26 94.35 Favored Glycine 0 C--N 1.333 0.392 0 C-N-CA 120.911 -0.661 . . . . 0.0 113.036 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.883 ' HB2' HG13 ' A' ' 3' ' ' VAL . 19.7 m120 -111.75 -48.49 3.06 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.813 0.306 . . . . 0.0 111.024 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 39' ' ' ILE . . . . . 0.47 ' CG1' HG11 ' A' ' 3' ' ' VAL . 24.0 mt -74.84 144.85 11.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.367 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -132.46 146.49 51.97 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.804 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -61.53 117.21 5.43 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.609 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.83 -13.84 49.67 Favored Glycine 0 CA--C 1.523 0.588 0 C-N-CA 120.849 -0.691 . . . . 0.0 113.014 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -56.01 135.36 52.6 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.958 0.379 . . . . 0.0 111.042 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.1 t -98.91 100.43 10.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.605 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 21.8 t -68.23 120.48 15.72 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.202 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.433 HD22 ' HA ' ' B' ' 46' ' ' LEU . 0.2 OUTLIER -85.77 -47.72 9.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.884 179.788 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -137.65 150.46 47.4 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.408 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 19.4 mt -126.71 120.87 57.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.381 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 58.55 31.55 21.16 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.17 -179.595 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.32 35.02 27.66 Favored Glycine 0 C--N 1.336 0.544 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.92 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.18 133.72 19.79 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.809 0.305 . . . . 0.0 110.839 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.683 HG12 ' H ' ' B' ' 54' ' ' GLU . 20.7 t -68.77 144.22 14.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.636 179.667 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.441 ' HB ' HG13 ' B' ' 22' ' ' ILE . 0.2 OUTLIER -121.75 21.58 10.72 Favored 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -179.658 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 54' ' ' GLU . . . . . 0.683 ' H ' HG12 ' B' ' 52' ' ' VAL . 7.7 tm-20 -88.25 151.81 22.39 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 120.744 0.307 . . . . 0.0 110.21 179.096 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 3.0 p30 58.96 8.32 0.96 Allowed 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.549 -0.751 . . . . 0.0 112.676 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' MET . . . . . 0.435 ' HE3' ' HA ' ' B' ' 53' ' ' THR . 1.9 ttm -97.94 160.62 14.19 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.728 0.299 . . . . 0.0 110.738 179.571 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 18.4 m -67.46 145.68 54.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.624 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.521 HD22 ' HB2' ' A' ' 55' ' ' ASN . 27.2 tp -55.27 -32.57 62.48 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.592 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.71 -37.91 89.2 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.735 179.648 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.63 -44.75 85.79 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-O 120.769 0.319 . . . . 0.0 110.638 179.549 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.61 -38.14 74.43 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.644 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.05 -36.61 82.42 Favored 'General case' 0 N--CA 1.462 0.125 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.488 179.154 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.93 -44.1 94.54 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.0 -37.65 69.43 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.397 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 65' ' ' ILE . . . . . 0.561 HG23 HD11 ' B' ' 72' ' ' LEU . 24.8 mt -77.13 -30.24 17.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.768 179.134 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -75.24 -44.67 44.84 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.768 0.318 . . . . 0.0 110.799 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -58.54 -30.59 67.22 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.153 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 3.5 m -53.46 113.83 1.3 Allowed 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.275 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? -96.9 34.08 1.78 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.772 179.423 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 148.0 -89.88 0.15 Allowed Glycine 0 C--N 1.336 0.537 0 C-N-CA 121.106 -0.568 . . . . 0.0 112.389 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 pttp -75.88 138.53 41.13 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.02 0.438 . . . . 0.0 111.39 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.757 HD12 ' CZ ' ' A' ' 14' ' ' TYR . 0.6 OUTLIER -125.04 146.67 49.33 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.798 179.682 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.7 131.68 51.32 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.107 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 13.1 mtp -140.49 122.88 15.98 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.767 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 21.8 t -98.46 119.67 46.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.097 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 13.2 m -110.6 174.47 1.95 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.255 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.171 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.467 ' HG3' HG13 ' B' ' 75' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--O 1.233 0.215 0 CA-C-O 120.573 0.225 . . . . 0.0 110.919 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.693 HG22 ' HB3' ' B' ' 38' ' ' ASN . 28.1 t -103.43 125.76 57.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.792 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 m -127.65 106.0 8.85 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.75 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.688 HD11 HD11 ' B' ' 39' ' ' ILE . 51.9 mt -104.16 159.87 15.33 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.876 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.457 HG13 ' HG2' ' B' ' 71' ' ' LYS . 12.9 t -136.49 106.49 5.28 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.006 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.774 ' HA ' HD11 ' B' ' 32' ' ' LEU . 4.9 ptpt . . . . . 0 N--CA 1.47 0.556 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.817 0.341 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.722 ' CD2' HD12 ' B' ' 72' ' ' LEU . 15.8 m-85 -66.62 -46.55 75.47 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.205 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.52 52.35 48.54 Favored Glycine 0 C--N 1.337 0.587 0 C-N-CA 121.139 -0.553 . . . . 0.0 112.803 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.635 HD23 ' HB3' ' A' ' 14' ' ' TYR . 2.3 pp -121.17 124.6 45.11 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.935 0.397 . . . . 0.0 110.959 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.422 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 10.1 mtt180 -73.6 118.63 16.78 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.665 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.714 HD11 HG23 ' B' ' 22' ' ' ILE . 0.2 OUTLIER -107.19 129.1 54.9 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.24 -179.903 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.607 ' HB3' ' CZ ' ' B' ' 23' ' ' PHE . . . -132.49 -179.72 5.62 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.827 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 62.5 p -135.81 155.89 49.64 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.177 0.513 . . . . 0.0 111.77 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.402 ' HD2' ' CE1' ' B' ' 23' ' ' PHE . 0.1 OUTLIER -125.19 175.09 7.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.481 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.911 HG13 HG22 ' A' ' 53' ' ' THR . 30.7 mm -134.63 132.36 54.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.151 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.609 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 8.0 p90 -140.73 177.13 8.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.005 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.7 t -102.13 114.01 40.28 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-O 120.965 0.412 . . . . 0.0 111.322 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.479 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 36.4 tptt -59.83 -44.6 93.96 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.527 179.511 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.411 ' HA ' ' HB3' ' A' ' 41' ' ' GLU . 0.7 OUTLIER 179.6 -179.63 0.44 Allowed 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.867 0.365 . . . . 0.0 110.967 -179.566 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.522 HG23 ' HB3' ' A' ' 33' ' ' ALA . 3.4 mp -120.1 133.25 67.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.589 179.31 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.512 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 38.3 m -75.03 156.61 36.0 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.285 -179.782 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -82.76 144.75 29.96 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.117 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 56.53 35.86 26.67 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.11 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.7 m -115.33 171.16 7.87 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.592 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.577 HD12 ' HA ' ' B' ' 14' ' ' TYR . 27.9 mt -57.84 -43.69 85.99 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.09 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.522 ' HB3' HG23 ' A' ' 27' ' ' ILE . . . -64.88 -45.16 87.16 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.477 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 28' ' ' SER . . . -66.57 -36.44 82.66 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.077 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -75.71 -46.81 29.05 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.808 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.435 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 1.3 t0 -60.34 -37.63 81.27 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.706 0.288 . . . . 0.0 111.044 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.66 33.95 87.56 Favored Glycine 0 C--N 1.335 0.511 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.384 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.739 ' HB3' HG13 ' B' ' 3' ' ' VAL . 1.5 m-80 -106.01 -31.65 8.65 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.526 0.203 . . . . 0.0 111.525 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.855 ' CG1' HG11 ' B' ' 3' ' ' VAL . 21.7 mt -96.57 146.07 7.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.013 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -129.83 155.07 46.58 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.055 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.411 ' HB3' ' HA ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -78.73 129.72 34.99 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.722 0.296 . . . . 0.0 110.938 179.563 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.64 -14.68 53.5 Favored Glycine 0 CA--C 1.522 0.506 0 C-N-CA 120.814 -0.708 . . . . 0.0 113.747 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 51.8 p-10 -74.85 157.64 34.76 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 117.646 0.723 . . . . 0.0 110.975 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 25.7 t -111.37 117.12 54.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.344 -178.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.4 t -82.76 135.59 24.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.353 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.4 tt -102.99 -38.38 7.37 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.37 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.9 mttm -135.79 151.94 50.59 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -179.415 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 52.4 mt -139.13 126.83 26.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.639 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 20.1 p30 45.69 33.35 1.44 Allowed 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.215 0.606 . . . . 0.0 111.783 -179.159 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 83.24 38.67 10.75 Favored Glycine 0 C--N 1.337 0.615 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.829 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.32 137.88 20.96 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.688 0.244 . . . . 0.0 110.521 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 38.5 t -64.37 149.09 11.32 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.769 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.911 HG22 HG13 ' A' ' 22' ' ' ILE . 0.6 OUTLIER -132.47 56.52 1.83 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.355 0.597 . . . . 0.0 111.0 179.861 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -135.47 140.32 44.75 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.432 -0.803 . . . . 0.0 109.67 178.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.656 ' O ' HD22 ' B' ' 58' ' ' LEU . 1.6 m-20 67.72 8.01 6.09 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.921 -179.307 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -93.8 169.43 10.31 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.736 0.303 . . . . 0.0 110.791 179.272 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.9 t -84.15 148.08 26.97 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.668 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.636 HD22 ' O ' ' B' ' 55' ' ' ASN . 19.4 tp -56.69 -30.78 63.8 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.653 179.49 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.2 -37.96 81.45 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.414 179.312 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -59.92 -39.32 85.05 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.629 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.664 ' HA ' HD12 ' A' ' 64' ' ' LEU . . . -58.1 -39.29 78.24 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.794 179.411 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.7 mmmt -62.22 -36.68 82.68 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.381 179.219 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.98 -39.02 92.85 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.973 179.551 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.664 HD12 ' HA ' ' A' ' 61' ' ' ALA . 28.7 mt -55.7 -34.34 65.0 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.718 179.591 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 16.2 mt -76.14 -30.94 20.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.923 179.402 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -74.25 -54.92 6.7 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.948 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.78 -26.2 65.52 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.511 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 m -56.86 115.55 2.65 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.842 0.353 . . . . 0.0 111.141 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.16 105.74 17.73 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.271 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 81.14 -113.34 3.62 Favored Glycine 0 C--N 1.336 0.536 0 C-N-CA 121.218 -0.515 . . . . 0.0 113.204 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.495 ' HE3' HG13 ' B' ' 6' ' ' VAL . 0.0 OUTLIER -69.6 153.35 43.57 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.745 0.307 . . . . 0.0 111.216 -179.601 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.729 HD12 ' CE2' ' B' ' 14' ' ' TYR . 0.4 OUTLIER -130.17 131.05 45.46 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.152 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.85 135.89 48.49 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.946 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 2.0 mtm -136.37 121.36 18.83 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.525 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.6 t -99.04 131.69 45.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.056 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.6 t -103.28 156.75 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.837 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 . . . . . 0 CA--C 1.529 0.153 0 CA-C-O 120.886 0.374 . . . . 0.0 111.499 -179.919 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 120.716 0.293 . . . . 0.0 111.198 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -124.11 142.79 50.91 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.037 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 3' ' ' VAL . . . . . 0.855 HG11 ' CG1' ' A' ' 39' ' ' ILE . 24.1 t -127.68 128.57 69.64 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.964 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 6.6 m -129.0 107.36 9.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.151 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.638 ' CD2' HG12 ' B' ' 3' ' ' VAL . 3.8 mm? -100.45 160.17 14.55 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.793 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 6' ' ' VAL . . . . . 0.495 HG13 ' HE3' ' A' ' 71' ' ' LYS . 21.9 t -124.94 100.14 6.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.938 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.535 ' HB2' ' CZ ' ' B' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.236 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.324 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 . . . . . 0 C--O 1.234 0.268 0 CA-C-O 120.689 0.281 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 14' ' ' TYR . . . . . 0.88 ' HB3' HD23 ' B' ' 16' ' ' LEU . 48.9 m-85 -54.94 -47.85 73.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.087 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.38 45.68 95.43 Favored Glycine 0 C--N 1.336 0.54 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.422 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.88 HD23 ' HB3' ' B' ' 14' ' ' TYR . 2.4 pp -115.21 111.66 21.3 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.988 0.423 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.479 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -74.59 114.56 13.15 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.049 179.666 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.564 HD21 ' CG2' ' A' ' 22' ' ' ILE . 0.1 OUTLIER -109.42 164.74 12.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.917 0.389 . . . . 0.0 111.321 -179.636 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.609 ' HB3' ' CZ ' ' A' ' 23' ' ' PHE . . . -157.3 177.75 11.1 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.214 -179.688 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 93.3 p -133.09 152.42 51.95 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.96 0.409 . . . . 0.0 111.162 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' HIS . . . . . 0.58 ' C ' HD12 ' B' ' 22' ' ' ILE . 0.1 OUTLIER -123.72 163.64 20.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.1 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.746 HD13 ' O ' ' B' ' 53' ' ' THR . 1.7 mp -122.75 134.29 66.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.407 179.646 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.607 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 7.6 p90 -143.48 178.03 8.05 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.358 -179.482 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 23.1 t -107.66 110.39 31.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.91 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.422 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 1.3 tttp -59.97 -41.36 91.81 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.296 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -172.66 175.22 3.5 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.952 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 27' ' ' ILE . . . . . 0.421 HD11 ' C ' ' B' ' 40' ' ' GLN . 3.3 mp -130.31 144.82 36.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 69.2 m -85.82 139.89 30.9 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 5.5 pm0 -74.13 158.23 34.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.527 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 56.68 34.98 25.46 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.248 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 1.6 m -120.61 178.33 4.72 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.728 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.774 HD11 ' HA ' ' A' ' 7' ' ' LYS . 42.9 mt -59.79 -39.65 85.64 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.299 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.06 -45.81 91.91 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.152 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.12 -37.71 83.76 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.059 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -74.07 -43.78 56.49 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.691 179.466 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -64.65 -37.04 86.2 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.101 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.6 37.63 93.81 Favored Glycine 0 C--N 1.336 0.569 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.573 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.693 ' HB3' HG22 ' A' ' 3' ' ' VAL . 2.5 m-80 -114.35 -40.5 3.63 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 -179.585 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 39' ' ' ILE . . . . . 0.688 HD11 HD11 ' A' ' 5' ' ' LEU . 8.1 mt -86.53 132.92 31.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-O 120.754 0.312 . . . . 0.0 111.245 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.421 ' C ' HD11 ' B' ' 27' ' ' ILE . 4.6 tp60 -129.7 149.21 51.55 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.68 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 53.6 tt0 -55.81 116.23 2.83 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.636 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.56 -2.35 46.0 Favored Glycine 0 CA--C 1.525 0.664 0 C-N-CA 120.863 -0.684 . . . . 0.0 113.171 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -58.36 142.55 47.91 Favored 'General case' 0 C--N 1.341 0.22 0 CA-C-N 117.034 0.417 . . . . 0.0 110.947 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 22.6 t -106.42 98.46 6.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.81 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 23.7 t -80.29 101.4 5.33 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.148 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.436 HD21 HG12 ' B' ' 75' ' ' VAL . 0.6 OUTLIER -78.74 -31.07 46.12 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.642 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 47' ' ' LYS . . . . . 0.434 ' HD2' HD12 ' B' ' 46' ' ' LEU . 7.6 mttt -139.39 156.44 46.99 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 120.812 0.339 . . . . 0.0 111.232 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.462 ' HB ' HD22 ' B' ' 64' ' ' LEU . 34.8 mt -142.14 121.73 10.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.593 179.622 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 60.35 34.01 20.75 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.33 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.33 25.15 64.16 Favored Glycine 0 C--N 1.335 0.519 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.673 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 4.8 m -131.8 139.4 48.88 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.657 0.265 . . . . 0.0 110.42 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 34.5 t -69.35 134.83 29.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.852 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.746 ' O ' HD13 ' B' ' 22' ' ' ILE . 1.0 OUTLIER -121.07 46.39 2.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.618 179.566 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -118.54 143.14 46.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.016 179.117 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 55' ' ' ASN . . . . . 0.636 ' O ' HD22 ' A' ' 58' ' ' LEU . 3.7 m-20 69.42 6.28 5.61 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.58 -179.385 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -94.61 159.32 15.13 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.75 0.31 . . . . 0.0 110.893 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 2.8 m -65.67 151.49 46.42 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.814 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.656 HD22 ' O ' ' A' ' 55' ' ' ASN . 47.9 tp -55.6 -31.15 62.0 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.405 179.254 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.28 -38.5 71.84 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.797 179.746 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.58 -41.64 70.12 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-O 120.753 0.311 . . . . 0.0 110.245 179.323 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.83 -37.64 87.6 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.259 178.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 62' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' B' ' 63' ' ' THR . 0.0 OUTLIER -65.33 -31.98 73.39 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.742 179.258 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 63' ' ' THR . . . . . 0.45 ' N ' ' HG3' ' B' ' 62' ' ' LYS . 0.9 OUTLIER -66.58 -44.06 83.22 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.035 179.882 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.462 HD22 ' HB ' ' B' ' 48' ' ' ILE . 0.8 OUTLIER -55.35 -37.47 67.53 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.8 0.333 . . . . 0.0 110.288 179.59 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 65' ' ' ILE . . . . . 0.5 HG23 HD11 ' B' ' 72' ' ' LEU . 40.3 mt -70.67 -31.38 45.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.608 178.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -76.56 -41.65 45.71 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.751 179.509 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 -59.34 -27.2 65.7 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.477 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 16.8 t -52.95 114.7 1.52 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 120.732 0.301 . . . . 0.0 111.229 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -94.87 34.97 1.29 Allowed 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.356 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 70' ' ' GLY . . . . . 0.513 ' HA2' ' CG ' ' A' ' 7' ' ' LYS . . . 132.83 -65.51 0.59 Allowed Glycine 0 C--N 1.336 0.535 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.528 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 71' ' ' LYS . . . . . 0.457 ' HG2' HG13 ' A' ' 6' ' ' VAL . 6.3 mttt -91.88 114.15 26.62 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.685 0.279 . . . . 0.0 110.897 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.722 HD12 ' CD2' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -97.79 137.68 36.3 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.044 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -124.14 122.15 37.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.695 179.517 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 14.6 mtp -133.65 118.16 17.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.637 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.467 HG13 ' HG3' ' A' ' 2' ' ' LYS . 36.8 t -98.01 127.99 49.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.753 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 33.5 m -115.13 173.59 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.519 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? . . . . . 0 C--O 1.233 0.207 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.015 179.747 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.4 tttt . . . . . 0 N--CA 1.463 0.181 0 CA-C-O 120.858 0.361 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.693 HG13 ' CB ' ' B' ' 38' ' ' ASN . 20.2 t -119.76 133.45 66.51 Favored 'Isoleucine or valine' 0 C--O 1.231 0.13 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.006 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.87 114.43 16.5 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.929 179.721 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.703 HD21 HD11 ' B' ' 39' ' ' ILE . 26.0 mt -111.99 159.08 18.77 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.099 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 20.9 t -134.22 104.78 6.08 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.959 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.501 ' HA ' HD11 ' B' ' 32' ' ' LEU . 23.9 ttmt . . . . . 0 N--CA 1.464 0.266 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.142 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.824 0.345 . . . . 0.0 110.728 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.782 ' HB3' HD23 ' A' ' 16' ' ' LEU . 19.7 m-85 -74.34 -33.8 63.24 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.375 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.01 28.24 63.43 Favored Glycine 0 C--N 1.336 0.544 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.628 -179.361 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.782 HD23 ' HB3' ' A' ' 14' ' ' TYR . 3.2 pp -95.22 138.82 32.41 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.852 0.358 . . . . 0.0 111.112 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.695 ' C ' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -114.04 135.97 53.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.657 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.695 HD23 ' C ' ' A' ' 17' ' ' ARG . 1.4 mt -120.45 169.05 10.69 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-O 121.532 0.682 . . . . 0.0 111.415 179.107 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.766 ' HB3' ' CZ ' ' B' ' 23' ' ' PHE . . . -156.31 171.64 19.87 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.418 -1.264 . . . . 0.0 110.013 178.599 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 64.3 p -128.66 146.53 50.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.16 0.505 . . . . 0.0 112.165 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.429 ' CE1' ' CD ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -115.03 178.43 4.28 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.162 179.299 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.772 HG23 HD11 ' B' ' 18' ' ' LEU . 33.6 mm -130.04 131.68 65.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.7 0.286 . . . . 0.0 111.22 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.625 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 15.4 p90 -142.08 177.02 8.51 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.412 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.2 t -106.11 112.61 40.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.959 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.458 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 9.1 tttp -64.49 -38.13 89.93 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.41 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -177.35 174.76 1.56 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.75 0.309 . . . . 0.0 110.928 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.1 mp -131.09 139.44 51.02 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.201 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.8 t -83.85 154.06 23.68 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.305 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -84.9 156.11 21.39 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.079 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 57.79 31.76 20.93 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.284 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.4 m -119.04 173.94 6.6 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.787 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.495 HD11 ' HA ' ' B' ' 7' ' ' LYS . 34.4 mt -57.78 -44.49 86.28 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.06 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.527 ' CB ' HD12 ' A' ' 39' ' ' ILE . . . -60.25 -45.91 91.61 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.08 179.634 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.06 -37.15 83.54 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.268 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.62 -49.04 43.86 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.214 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.5 -32.47 74.12 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.572 0.225 . . . . 0.0 111.224 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.67 35.91 92.65 Favored Glycine 0 C--N 1.336 0.538 0 C-N-CA 121.013 -0.613 . . . . 0.0 113.111 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.791 ' HB2' HG13 ' B' ' 3' ' ' VAL . 89.6 m-20 -107.86 -33.35 7.26 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.783 0.291 . . . . 0.0 111.511 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.875 HD11 HD11 ' B' ' 5' ' ' LEU . 18.6 mt -90.82 140.42 16.0 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 CA-C-O 120.71 0.291 . . . . 0.0 111.346 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -135.38 150.03 49.82 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.978 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -62.84 127.59 31.98 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.796 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 98.94 -17.63 57.94 Favored Glycine 0 CA--C 1.522 0.518 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.711 -179.511 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -55.9 139.43 46.04 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.769 0.319 . . . . 0.0 110.923 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 20.8 t -100.94 98.56 7.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.997 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.541 ' HA ' HG12 ' A' ' 76' ' ' VAL . 29.0 t -75.89 89.26 0.78 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.049 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.3 tt -68.51 -44.16 75.25 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.315 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.58 154.28 38.15 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 120.802 0.334 . . . . 0.0 111.235 -179.485 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.547 ' HB ' HD13 ' A' ' 64' ' ' LEU . 34.8 mt -141.0 114.21 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.596 179.719 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 58.97 35.58 24.15 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.384 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.7 32.49 45.77 Favored Glycine 0 C--N 1.335 0.495 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.638 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.38 120.06 9.2 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.604 0.24 . . . . 0.0 110.638 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.528 HG12 ' H ' ' A' ' 54' ' ' GLU . 31.6 t -66.79 133.97 30.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.724 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.409 ' HB ' HG13 ' A' ' 22' ' ' ILE . 0.6 OUTLIER -115.83 37.1 3.74 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.478 -179.793 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.528 ' H ' HG12 ' A' ' 52' ' ' VAL . 10.0 tt0 -93.93 142.85 26.91 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 179.11 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.553 ' OD1' ' HB1' ' A' ' 19' ' ' ALA . 5.9 m-20 69.57 6.53 5.75 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.205 -179.543 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.0 ttm -93.01 178.04 5.88 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.748 0.308 . . . . 0.0 110.59 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.2 p -87.88 149.87 23.85 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.506 179.474 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.553 HD22 ' O ' ' B' ' 55' ' ' ASN . 16.4 tp -57.18 -29.35 63.59 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.554 -0.293 . . . . 0.0 110.772 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.97 -39.31 93.29 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.839 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.17 -42.24 76.75 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.766 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.17 -44.15 87.8 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.76 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.1 mttp -60.8 -35.51 76.68 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.634 179.407 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.7 m -63.61 -46.35 86.13 Favored 'General case' 0 N--CA 1.462 0.125 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.225 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.547 HD13 ' HB ' ' A' ' 48' ' ' ILE . 6.2 mt -56.04 -37.67 69.54 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.866 0.365 . . . . 0.0 110.162 179.591 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.452 ' HA ' HD11 ' A' ' 72' ' ' LEU . 39.8 mt -75.22 -29.52 21.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.736 178.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.74 -50.27 15.77 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.74 0.305 . . . . 0.0 110.974 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 19.3 ttt-85 -60.71 -28.75 68.88 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.239 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.452 ' CB ' ' HG ' ' A' ' 72' ' ' LEU . 9.4 m -65.58 89.63 0.1 Allowed 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.009 0.433 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.1 mttm -91.29 54.76 2.64 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.232 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 158.14 -117.86 0.8 Allowed Glycine 0 C--N 1.334 0.44 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.295 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.43 140.72 43.09 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.843 0.354 . . . . 0.0 111.333 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.784 HD12 ' CZ ' ' B' ' 14' ' ' TYR . 0.5 OUTLIER -124.9 144.74 50.17 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.672 179.905 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.39 136.16 53.15 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.779 179.734 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.505 ' HG3' HG23 ' A' ' 48' ' ' ILE . 0.8 OUTLIER -141.54 126.17 17.9 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.013 -179.905 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.2 t -100.63 117.16 45.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.541 HG12 ' HA ' ' A' ' 45' ' ' VAL . 28.0 m -119.33 162.7 17.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.588 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.203 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.213 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 1' ' ' THR . . . . . 0.52 ' HB ' HG23 ' A' ' 76' ' ' VAL . 1.3 m . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 120.598 0.237 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.92 132.12 52.18 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.8 0.334 . . . . 0.0 111.336 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 3' ' ' VAL . . . . . 0.791 HG13 ' HB2' ' A' ' 38' ' ' ASN . 38.3 t -112.02 123.56 67.9 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.138 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 4.9 m -127.02 112.16 14.9 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.819 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.875 HD11 HD11 ' A' ' 39' ' ' ILE . 41.1 mt -110.8 157.69 19.52 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.051 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 33.2 t -123.41 103.32 12.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.099 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.515 ' HB2' ' CZ ' ' B' ' 14' ' ' TYR . 2.0 ttmt . . . . . 0 N--CA 1.462 0.17 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.301 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.899 0.381 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 14' ' ' TYR . . . . . 0.784 ' CZ ' HD12 ' A' ' 72' ' ' LEU . 61.8 m-85 -68.74 -29.46 67.86 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.391 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.15 46.99 92.94 Favored Glycine 0 C--N 1.335 0.515 0 C-N-CA 121.284 -0.484 . . . . 0.0 113.018 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.753 HD23 ' HB3' ' B' ' 14' ' ' TYR . 2.4 pp -124.77 129.27 50.14 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.777 0.323 . . . . 0.0 110.973 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.458 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 1.3 mmt85 -82.68 117.66 22.78 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.705 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.772 HD11 HG23 ' A' ' 22' ' ' ILE . 0.6 OUTLIER -106.4 132.0 52.95 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.992 -179.765 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.625 ' HB3' ' CZ ' ' A' ' 23' ' ' PHE . . . -136.15 175.45 9.59 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.211 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 20' ' ' SER . . . . . 0.453 ' OG ' HD13 ' A' ' 58' ' ' LEU . 58.3 p -141.01 150.16 42.68 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.923 0.392 . . . . 0.0 111.703 -179.737 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 21' ' ' HIS . . . . . 0.464 ' HD2' ' CE1' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -114.75 177.16 4.75 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.109 179.718 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.405 HG13 ' HB ' ' B' ' 53' ' ' THR . 26.8 mm -132.54 120.82 43.66 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.365 179.273 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.766 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 20.9 p90 -125.51 -175.93 3.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.372 -179.584 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t -96.57 113.68 31.54 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-O 120.861 0.362 . . . . 0.0 111.54 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.562 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 21.7 tptp -66.47 -40.71 89.49 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.786 179.136 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.446 ' HG3' ' HB2' ' A' ' 17' ' ' ARG . 2.1 pt-20 179.92 172.83 0.99 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.961 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 27' ' ' ILE . . . . . 0.446 ' CG2' ' HB3' ' B' ' 33' ' ' ALA . 2.7 mt -133.75 137.47 52.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.184 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.977 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.59 149.88 34.76 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.157 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -75.51 150.0 38.27 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.824 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 57.36 37.4 27.99 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.026 -179.42 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.95 174.31 5.96 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.825 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.501 HD11 ' HA ' ' A' ' 7' ' ' LYS . 42.5 mt -58.62 -41.91 86.99 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.176 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.52 ' HB1' ' HB ' ' B' ' 39' ' ' ILE . . . -61.14 -46.71 89.45 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.218 179.673 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.13 -38.68 83.82 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.076 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.87 -39.32 51.51 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.895 179.629 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -63.09 -35.9 81.81 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.386 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.75 35.18 84.94 Favored Glycine 0 C--N 1.334 0.456 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.419 -179.301 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.693 ' CB ' HG13 ' A' ' 3' ' ' VAL . 3.0 m-80 -121.65 -53.5 1.98 Allowed 'General case' 0 C--N 1.334 -0.082 0 CA-C-O 120.606 0.241 . . . . 0.0 110.911 -179.687 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 39' ' ' ILE . . . . . 0.703 HD11 HD21 ' A' ' 5' ' ' LEU . 3.3 mp -72.41 123.22 26.56 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.817 179.653 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -128.17 142.9 51.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.823 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.18 119.45 6.88 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.66 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.81 4.37 51.77 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 120.95 -0.643 . . . . 0.0 113.178 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.04 130.19 39.34 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 117.138 0.469 . . . . 0.0 110.628 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 22.1 t -84.66 104.22 12.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.794 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' VAL . . . . . 0.594 HG22 ' CG1' ' B' ' 76' ' ' VAL . 21.6 t -81.84 137.76 20.66 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.272 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.67 -39.33 4.34 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.163 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 6.2 mtpp -137.71 157.61 46.1 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.881 0.372 . . . . 0.0 111.543 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 20.6 mt -143.31 123.04 8.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.501 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 52.95 36.54 22.15 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.457 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.77 35.89 44.22 Favored Glycine 0 C--N 1.335 0.5 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.731 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.7 132.4 17.89 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.517 0.199 . . . . 0.0 110.599 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.565 HG12 ' H ' ' B' ' 54' ' ' GLU . 24.0 t -76.33 136.28 25.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.808 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.405 ' HB ' HG13 ' B' ' 22' ' ' ILE . 0.1 OUTLIER -118.27 34.64 5.09 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.187 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 54' ' ' GLU . . . . . 0.565 ' H ' HG12 ' B' ' 52' ' ' VAL . 0.1 OUTLIER -95.55 142.74 27.52 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.188 179.201 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 55' ' ' ASN . . . . . 0.614 ' OD1' ' HB1' ' B' ' 19' ' ' ALA . 3.9 m-20 65.68 12.74 8.5 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.856 -179.652 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -101.52 175.13 5.67 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.731 0.3 . . . . 0.0 110.866 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 3.8 m -81.91 147.53 29.23 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.715 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.448 HD22 ' O ' ' A' ' 55' ' ' ASN . 14.5 tp -56.04 -29.77 60.94 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.837 179.632 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.66 -40.02 95.8 Favored 'General case' 0 CA--C 1.527 0.092 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.867 179.48 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -55.33 -47.2 76.02 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.454 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.54 -37.65 76.12 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.418 179.105 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 62' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' B' ' 63' ' ' THR . 0.0 OUTLIER -64.99 -36.99 86.19 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.424 179.201 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 63' ' ' THR . . . . . 0.406 ' N ' ' HG3' ' B' ' 62' ' ' LYS . 0.2 OUTLIER -63.96 -41.7 97.5 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 179.656 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.33 -34.06 66.2 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.73 0.3 . . . . 0.0 110.852 179.477 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 65' ' ' ILE . . . . . 0.54 ' HA ' HD11 ' B' ' 72' ' ' LEU . 17.1 mt -78.63 -29.02 14.49 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.727 179.14 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -77.99 -45.04 24.91 Favored 'General case' 0 CA--C 1.53 0.173 0 CA-C-O 120.77 0.319 . . . . 0.0 110.93 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.75 -17.4 64.59 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.053 -0.521 . . . . 0.0 112.303 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 68' ' ' SER . . . . . 0.401 ' CB ' ' HG ' ' B' ' 72' ' ' LEU . 58.2 p -56.7 104.32 0.15 Allowed 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 121.007 0.432 . . . . 0.0 111.024 -179.642 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -65.83 -44.59 85.1 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.85 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -146.94 -64.59 0.01 OUTLIER Glycine 0 C--N 1.335 0.504 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.713 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -95.6 136.74 35.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.841 0.353 . . . . 0.0 110.995 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.714 HD12 ' CE2' ' A' ' 14' ' ' TYR . 0.4 OUTLIER -118.08 138.76 52.02 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.268 -179.729 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 6.0 mtpt -121.03 135.81 55.12 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.078 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 12.8 mtp -137.67 124.99 21.81 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 21.9 t -100.3 120.96 50.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.937 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.594 ' CG1' HG22 ' B' ' 45' ' ' VAL . 12.6 m -129.31 165.67 28.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 120.778 0.323 . . . . 0.0 111.418 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.233 0.222 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.103 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.2 ttmm . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.859 0.361 . . . . 0.0 111.314 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.702 HG13 ' CB ' ' B' ' 38' ' ' ASN . 41.3 t -117.59 133.2 65.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.923 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.4 m -129.35 117.24 20.31 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 120.823 0.344 . . . . 0.0 111.162 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 76.4 mt -115.49 155.74 26.96 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.757 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 38.9 t -126.46 102.69 10.19 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 CA-C-O 120.739 0.304 . . . . 0.0 111.074 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.459 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 1.1 ttmm . . . . . 0 N--CA 1.464 0.244 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.178 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.836 0.351 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.772 ' CE2' HD12 ' B' ' 72' ' ' LEU . 69.3 m-85 -60.2 -34.05 73.08 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.361 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.86 29.37 61.72 Favored Glycine 0 C--N 1.335 0.523 0 C-N-CA 121.068 -0.587 . . . . 0.0 113.027 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.755 HD23 ' HB3' ' A' ' 14' ' ' TYR . 3.1 pp -111.48 123.96 51.3 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.859 0.361 . . . . 0.0 110.857 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.546 ' O ' HG13 ' B' ' 24' ' ' VAL . 0.2 OUTLIER -85.05 145.47 27.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.486 179.847 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.587 HD21 ' CG2' ' B' ' 22' ' ' ILE . 0.1 OUTLIER -131.72 163.58 27.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.069 0.461 . . . . 0.0 111.711 -179.897 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.616 ' HB3' ' CZ ' ' B' ' 23' ' ' PHE . . . -158.76 177.41 11.21 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.183 -179.556 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.456 ' HB3' HD13 ' B' ' 58' ' ' LEU . 80.4 p -139.46 153.74 47.61 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 120.874 0.368 . . . . 0.0 111.516 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -119.53 175.14 5.99 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.468 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.717 ' CG2' HD11 ' B' ' 18' ' ' LEU . 27.8 mm -129.08 137.66 56.56 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-O 120.73 0.3 . . . . 0.0 111.397 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.445 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 10.8 p90 -149.01 178.8 8.38 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.379 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.5 t -104.02 122.17 56.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.247 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.498 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 10.5 tptt -76.58 -35.39 58.19 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.27 179.615 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.446 ' O ' HD13 ' A' ' 27' ' ' ILE . 0.7 OUTLIER -172.68 175.46 3.43 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.916 0.389 . . . . 0.0 111.321 -179.775 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.58 HD11 ' C ' ' A' ' 40' ' ' GLN . 5.8 mm -123.3 131.71 72.69 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.495 179.179 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t -76.34 138.68 40.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.8 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.57 143.21 54.96 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 t0 59.19 37.67 23.8 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.6 p -110.58 177.2 4.76 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.931 0.396 . . . . 0.0 111.164 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.733 HD12 ' HA ' ' B' ' 14' ' ' TYR . 21.7 mt -63.86 -34.4 77.85 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.106 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.679 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -65.86 -34.25 77.72 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.773 -0.194 . . . . 0.0 111.198 179.476 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.43 -52.16 59.48 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.35 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.78 -35.18 72.45 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.097 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -61.56 -35.92 79.14 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.089 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.18 31.5 81.04 Favored Glycine 0 C--N 1.335 0.475 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.978 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.496 ' HB3' HG22 ' B' ' 3' ' ' VAL . 29.1 m-20 -123.55 -44.01 2.13 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.706 0.253 . . . . 0.0 111.299 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.94 HD11 HD21 ' B' ' 5' ' ' LEU . 2.6 mp -83.87 127.43 39.78 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.989 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.58 ' C ' HD11 ' A' ' 27' ' ' ILE . 1.7 mp0 -137.76 169.22 18.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.939 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -74.21 127.17 32.27 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.666 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.11 -20.93 39.24 Favored Glycine 0 CA--C 1.522 0.491 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.457 -179.251 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -54.02 138.18 37.92 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.683 0.278 . . . . 0.0 111.249 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.0 t -101.99 99.61 8.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.925 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.0 t -74.45 128.29 36.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.9 tp -103.29 -44.6 5.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.422 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.585 ' HG2' HG22 ' A' ' 52' ' ' VAL . 23.3 mttt -133.27 153.1 51.86 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.857 0.361 . . . . 0.0 111.81 -179.339 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.483 ' HB ' HD13 ' A' ' 64' ' ' LEU . 4.5 mp -139.35 123.33 19.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.409 179.134 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 57.61 30.54 18.95 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.13 -179.259 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 83.26 32.7 24.97 Favored Glycine 0 C--N 1.337 0.621 0 C-N-CA 120.981 -0.628 . . . . 0.0 113.217 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -148.36 129.44 14.51 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 117.084 0.442 . . . . 0.0 111.053 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.681 HG12 ' H ' ' A' ' 54' ' ' GLU . 20.8 t -74.49 138.78 20.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.694 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.453 ' HA ' ' HE3' ' A' ' 56' ' ' MET . 0.9 OUTLIER -112.33 24.3 12.7 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 179.836 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.681 ' H ' HG12 ' A' ' 52' ' ' VAL . 5.7 tt0 -82.6 144.08 30.57 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 179.043 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.7 m120 64.78 14.31 9.07 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.582 -179.31 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.453 ' HE3' ' HA ' ' A' ' 53' ' ' THR . 1.5 ttm -107.57 165.77 11.16 Favored 'General case' 0 CA--C 1.53 0.212 0 CA-C-O 120.796 0.331 . . . . 0.0 111.138 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 51.7 m -74.31 143.36 45.0 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.715 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.533 HD13 ' HB3' ' B' ' 20' ' ' SER . 25.2 tp -56.26 -32.65 64.71 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.029 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.07 -39.34 93.86 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.402 179.406 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -55.11 -44.59 75.12 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.006 179.238 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.91 -38.99 73.62 Favored 'General case' 0 CA--C 1.527 0.096 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.979 179.55 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.7 ' HA ' HD12 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -67.92 -35.98 79.38 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.642 179.432 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.2 m -62.67 -43.99 97.39 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.81 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.483 HD13 ' HB ' ' A' ' 48' ' ' ILE . 5.9 mt -56.39 -37.28 69.91 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.171 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.7 HD12 ' HA ' ' A' ' 62' ' ' LYS . 17.1 mt -69.84 -32.2 51.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.335 178.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -74.18 -43.38 57.49 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.731 0.301 . . . . 0.0 110.7 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -66.86 -18.66 65.49 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.919 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.454 ' OG ' ' HG ' ' A' ' 72' ' ' LEU . 63.0 m -57.92 110.7 0.97 Allowed 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.569 0.223 . . . . 0.0 110.924 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.36 -56.4 20.73 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.129 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -134.04 -79.63 0.13 Allowed Glycine 0 C--N 1.335 0.498 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.352 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.416 ' HG2' HG22 ' B' ' 6' ' ' VAL . 4.3 mtmt -79.22 145.52 33.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.739 0.304 . . . . 0.0 110.912 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.694 HD11 ' HA ' ' A' ' 65' ' ' ILE . 0.7 OUTLIER -123.27 118.53 27.78 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.885 179.872 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.451 ' HD3' HG23 ' B' ' 4' ' ' THR . 0.9 OUTLIER -94.76 135.61 36.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.492 179.775 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 11.3 mtp -140.69 123.63 16.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.838 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 26.3 t -98.06 123.7 50.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.658 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 24.1 t -120.04 152.5 22.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.888 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.675 0.274 . . . . 0.0 110.777 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 20.7 m . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 120.671 0.272 . . . . 0.0 111.288 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -110.89 124.67 52.52 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.883 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 3' ' ' VAL . . . . . 0.796 HG11 HG13 ' A' ' 39' ' ' ILE . 21.7 t -111.94 131.44 63.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.934 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 4' ' ' THR . . . . . 0.451 HG23 ' HD3' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -128.95 115.13 17.36 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.774 0.321 . . . . 0.0 111.157 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.94 HD21 HD11 ' A' ' 39' ' ' ILE . 3.2 mm? -107.11 157.48 17.81 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.715 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 6' ' ' VAL . . . . . 0.416 HG22 ' HG2' ' A' ' 71' ' ' LYS . 12.1 t -129.92 100.1 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.137 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.982 179.597 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.533 ' HB2' ' CZ ' ' B' ' 14' ' ' TYR . 0.5 OUTLIER . . . . . 0 N--CA 1.463 0.201 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.994 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 . . . . . 0 C--O 1.234 0.244 0 CA-C-O 120.739 0.304 . . . . 0.0 110.714 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 14' ' ' TYR . . . . . 0.733 ' HA ' HD12 ' A' ' 32' ' ' LEU . 59.6 m-85 -58.67 -42.41 88.41 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.349 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.74 51.92 49.47 Favored Glycine 0 CA--C 1.522 0.485 0 C-N-CA 121.189 -0.529 . . . . 0.0 113.203 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.695 HD23 ' HB3' ' B' ' 14' ' ' TYR . 3.3 pp -125.66 124.68 41.67 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 120.774 0.321 . . . . 0.0 110.979 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.498 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -84.38 109.66 18.02 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.437 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.717 HD11 ' CG2' ' A' ' 22' ' ' ILE . 0.2 OUTLIER -97.0 142.97 28.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.751 -179.229 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.45 ' HB2' ' HB2' ' A' ' 25' ' ' LYS . . . -142.83 175.18 10.02 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.077 179.463 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 20' ' ' SER . . . . . 0.533 ' HB3' HD13 ' A' ' 58' ' ' LEU . 99.4 p -143.37 151.31 40.28 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.089 0.471 . . . . 0.0 112.031 -179.508 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -118.07 174.8 6.0 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.799 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.587 ' CG2' HD21 ' A' ' 18' ' ' LEU . 32.1 mm -130.44 138.71 53.14 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.333 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.616 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 12.4 p90 -149.2 174.78 12.0 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.348 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.546 HG13 ' O ' ' A' ' 17' ' ' ARG . 41.4 t -95.06 123.64 47.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.845 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.541 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 12.1 tptp -75.71 -40.74 55.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.746 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -175.88 176.23 1.85 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.817 0.342 . . . . 0.0 110.972 -179.39 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 3.7 mp -136.88 134.12 48.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.808 179.165 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 11.7 t -83.69 148.48 27.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -72.56 154.78 40.62 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.912 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 58.15 32.41 21.98 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.973 -179.443 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 60.9 m -112.57 166.58 11.2 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 14' ' ' TYR . 22.1 mt -57.18 -41.18 78.78 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.976 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.457 ' HB1' ' HB ' ' B' ' 39' ' ' ILE . . . -66.57 -44.63 81.74 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.982 179.321 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.32 -39.92 92.3 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.004 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.62 -41.45 60.38 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.707 179.342 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -62.1 -33.67 74.88 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.414 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.78 34.92 88.79 Favored Glycine 0 C--N 1.335 0.494 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.799 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.702 ' CB ' HG13 ' A' ' 3' ' ' VAL . 2.2 m-80 -116.12 -41.1 3.2 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 120.468 0.175 . . . . 0.0 111.419 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 39' ' ' ILE . . . . . 0.677 HD11 HG11 ' A' ' 3' ' ' VAL . 29.9 mm -86.82 125.45 40.84 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-O 120.71 0.291 . . . . 0.0 111.33 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -132.11 157.32 44.54 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -60.32 120.72 10.39 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.83 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.52 -14.13 46.82 Favored Glycine 0 CA--C 1.523 0.552 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.899 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -54.03 126.66 23.46 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.933 0.366 . . . . 0.0 111.125 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.9 t -99.44 106.17 18.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' VAL . . . . . 0.583 HG11 ' CD1' ' B' ' 48' ' ' ILE . 22.0 t -82.94 136.3 23.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-O 121.049 0.452 . . . . 0.0 111.462 -179.676 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.759 HD23 ' HG3' ' B' ' 47' ' ' LYS . 6.2 tt -109.65 -40.1 4.94 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.48 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 47' ' ' LYS . . . . . 0.759 ' HG3' HD23 ' B' ' 46' ' ' LEU . 24.7 mtpp -134.82 148.22 50.13 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -179.349 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.639 ' HB ' HD22 ' B' ' 64' ' ' LEU . 8.1 mm -123.52 119.0 56.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.628 179.213 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 41.11 38.74 0.77 Allowed 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.136 0.574 . . . . 0.0 112.01 -179.248 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 87.21 37.77 8.13 Favored Glycine 0 C--N 1.336 0.582 0 C-N-CA 120.952 -0.642 . . . . 0.0 113.286 179.642 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.25 121.01 8.09 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.977 0.389 . . . . 0.0 110.616 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.677 HG12 ' H ' ' B' ' 54' ' ' GLU . 23.1 t -66.5 140.33 19.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.518 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.449 ' CG2' ' HB2' ' B' ' 61' ' ' ALA . 0.2 OUTLIER -121.04 24.33 10.2 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.726 -179.526 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 54' ' ' GLU . . . . . 0.677 ' H ' HG12 ' B' ' 52' ' ' VAL . 1.5 tt0 -97.9 148.1 23.78 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.822 0.344 . . . . 0.0 110.312 178.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 55' ' ' ASN . . . . . 0.44 ' O ' HD22 ' A' ' 58' ' ' LEU . 5.5 m-20 70.24 1.29 3.5 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.354 -179.66 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.19 168.23 9.2 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.744 0.307 . . . . 0.0 110.966 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 7.3 m -72.43 145.78 47.39 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.844 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.456 HD13 ' HB3' ' A' ' 20' ' ' SER . 39.0 tp -54.22 -30.21 49.22 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.943 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.22 -44.07 97.87 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.57 179.567 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -54.96 -45.43 74.94 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.228 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' ALA . . . . . 0.449 ' HB2' ' CG2' ' B' ' 53' ' ' THR . . . -62.28 -39.57 93.38 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.997 178.548 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 62' ' ' LYS . . . . . 0.442 ' HG3' ' N ' ' B' ' 63' ' ' THR . 0.0 OUTLIER -62.72 -31.89 72.89 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.478 179.058 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 63' ' ' THR . . . . . 0.442 ' N ' ' HG3' ' B' ' 62' ' ' LYS . 0.2 OUTLIER -71.64 -39.18 70.56 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.89 179.506 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.639 HD22 ' HB ' ' B' ' 48' ' ' ILE . 1.2 mt -54.98 -37.46 66.57 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.496 179.602 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 34.0 mt -69.86 -32.03 50.34 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.649 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.46 -45.47 59.38 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.665 0.269 . . . . 0.0 110.747 179.497 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.49 -25.95 66.45 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.364 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 68' ' ' SER . . . . . 0.542 ' CB ' ' HG ' ' B' ' 72' ' ' LEU . 2.3 m -74.52 84.92 2.03 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.911 0.386 . . . . 0.0 110.607 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -72.56 -32.05 65.75 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.64 -179.583 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -114.89 -107.05 2.65 Favored Glycine 0 C--N 1.337 0.601 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.758 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.76 150.01 36.25 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 120.853 0.358 . . . . 0.0 111.358 -179.601 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.772 HD12 ' CE2' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -126.95 131.02 51.19 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.791 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 49.5 mttt -119.26 133.39 55.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.244 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 8.6 mtp -139.42 145.6 39.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.963 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 24.8 t -113.72 110.92 33.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.559 179.612 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 5.2 m -100.73 163.11 3.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.237 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.049 179.665 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.13 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.623 ' HB ' HG23 ' B' ' 76' ' ' VAL . 32.8 m . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 120.721 0.296 . . . . 0.0 111.315 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 42.7 mttm -112.96 131.01 55.92 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.836 HG13 ' HB3' ' B' ' 38' ' ' ASN . 19.4 t -107.04 113.93 44.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.247 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.508 ' C ' HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -116.94 123.2 46.4 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.221 179.877 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.721 HD21 HG12 ' A' ' 3' ' ' VAL . 3.0 mm? -121.63 160.27 24.74 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.781 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.459 ' O ' HD22 ' B' ' 32' ' ' LEU . 11.1 t -128.21 102.72 8.86 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.15 0 CA-C-O 120.855 0.359 . . . . 0.0 111.343 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.453 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 2.0 ttmt -89.73 53.51 2.59 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.282 0.563 . . . . 0.0 110.818 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.7 p -149.02 -43.92 0.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.301 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.5 mtp180 -51.32 -57.01 10.03 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.215 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.45 138.66 43.26 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.687 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -74.4 79.64 1.89 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.358 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -171.82 149.22 2.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.781 -179.562 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -72.3 175.02 6.49 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.916 0.389 . . . . 0.0 111.119 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.676 ' HB3' HD23 ' A' ' 16' ' ' LEU . 59.4 m-85 -65.58 -31.56 72.67 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.424 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.12 48.47 73.82 Favored Glycine 0 C--N 1.338 0.667 0 C-N-CA 121.117 -0.564 . . . . 0.0 112.741 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.676 HD23 ' HB3' ' A' ' 14' ' ' TYR . 3.2 pp -118.04 124.05 47.16 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.782 0.325 . . . . 0.0 110.976 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.493 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 1.1 mmt180 -75.42 111.93 11.21 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.445 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.795 HD11 HG23 ' B' ' 22' ' ' ILE . 0.6 OUTLIER -99.77 133.57 43.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.431 -179.396 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.64 ' N ' HD13 ' A' ' 18' ' ' LEU . . . -134.45 175.7 9.29 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.653 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.8 p -141.57 151.9 43.6 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.002 0.43 . . . . 0.0 111.826 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.411 ' HD2' ' CE1' ' B' ' 23' ' ' PHE . 0.2 OUTLIER -119.04 177.81 4.73 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.578 179.614 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.774 ' CG2' HD11 ' B' ' 18' ' ' LEU . 29.3 mm -132.47 140.77 46.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.814 0.34 . . . . 0.0 111.203 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.487 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 12.5 p90 -149.41 176.42 10.6 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.363 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.512 HG21 HG23 ' A' ' 39' ' ' ILE . 26.2 t -102.75 106.86 20.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.866 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.523 ' HB2' ' HB2' ' B' ' 19' ' ' ALA . 6.0 tptp -59.45 -35.71 74.57 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.304 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -175.11 175.21 2.31 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.94 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.752 HD12 ' HG3' ' A' ' 41' ' ' GLU . 2.4 mp -130.65 137.46 56.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.923 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.7 m -77.4 148.88 35.26 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.842 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.0 155.45 34.95 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.836 0.35 . . . . 0.0 111.25 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 54.05 34.61 20.24 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.179 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.2 p -109.41 173.12 6.47 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.911 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.414 ' HB2' ' HA ' ' B' ' 14' ' ' TYR . 12.0 mt -60.85 -37.03 80.69 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.795 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.437 ' CB ' HD13 ' A' ' 39' ' ' ILE . . . -62.66 -45.78 91.24 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.044 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.69 -39.25 90.78 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.183 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -74.23 -39.22 63.21 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.731 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -68.26 -35.03 77.26 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.348 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.31 44.81 92.95 Favored Glycine 0 C--N 1.336 0.532 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.585 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.61 ' CB ' HG13 ' B' ' 3' ' ' VAL . 2.5 m-80 -123.78 -46.39 1.99 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.481 0.182 . . . . 0.0 111.418 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.899 HD11 HD21 ' B' ' 5' ' ' LEU . 3.6 mp -83.5 124.24 39.45 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.138 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.521 ' C ' HD11 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -118.02 155.97 29.38 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.884 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.752 ' HG3' HD12 ' A' ' 27' ' ' ILE . 1.7 mp0 -61.33 110.8 1.52 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.725 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.49 4.95 43.12 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 121.002 -0.618 . . . . 0.0 113.106 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.77 131.99 47.1 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.916 0.358 . . . . 0.0 110.934 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 30.9 t -93.08 115.18 31.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.925 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.406 HG22 ' CG1' ' A' ' 76' ' ' VAL . 21.9 t -91.27 136.81 23.27 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.386 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.6 mp -112.14 -39.6 4.42 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.179 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -132.47 151.95 51.71 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.84 0.353 . . . . 0.0 111.341 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.417 HG23 ' HG3' ' A' ' 74' ' ' MET . 38.5 mt -140.43 124.0 17.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.608 179.554 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 57.99 31.84 21.16 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.267 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.69 32.79 40.1 Favored Glycine 0 C--N 1.337 0.607 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.736 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -144.02 137.86 27.96 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.714 0.257 . . . . 0.0 110.672 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.54 HG12 ' H ' ' A' ' 54' ' ' GLU . 17.9 t -62.93 145.74 13.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.719 HG22 HG13 ' A' ' 22' ' ' ILE . 1.4 m -128.52 34.86 4.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.331 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.54 ' H ' HG12 ' A' ' 52' ' ' VAL . 0.3 OUTLIER -103.74 144.0 32.05 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.709 0.29 . . . . 0.0 110.319 179.269 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 67.91 7.52 5.83 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.868 -179.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -93.29 159.83 15.09 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.757 0.313 . . . . 0.0 111.005 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.3 m -77.25 148.45 35.77 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.804 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.436 HD22 ' O ' ' B' ' 55' ' ' ASN . 32.7 tp -55.19 -30.23 59.5 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.964 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.71 -43.13 90.08 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.978 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.91 -41.01 86.24 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.829 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.33 -37.08 74.41 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.612 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.3 mmtt -65.11 -35.91 82.62 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.503 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.71 -43.79 92.31 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.446 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.12 -35.56 64.79 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.739 0.304 . . . . 0.0 110.491 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.633 ' HA ' HD11 ' A' ' 72' ' ' LEU . 22.7 mt -71.72 -32.47 45.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.698 179.126 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -75.88 -37.95 58.35 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.773 0.321 . . . . 0.0 110.846 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -59.87 -33.34 71.69 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.206 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.6 114.86 2.68 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.816 0.341 . . . . 0.0 111.538 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.78 -35.79 64.98 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.09 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -149.47 -67.51 0.01 OUTLIER Glycine 0 C--N 1.334 0.449 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.731 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.545 ' HG3' HG13 ' B' ' 6' ' ' VAL . 0.0 OUTLIER -87.5 128.52 35.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.594 0.235 . . . . 0.0 111.315 -179.705 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.741 HD12 ' CE2' ' B' ' 14' ' ' TYR . 0.6 OUTLIER -113.93 124.14 51.46 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.916 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.495 ' HG2' HG23 ' B' ' 4' ' ' THR . 22.6 mttm -102.22 138.84 38.63 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.83 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.417 ' HG3' HG23 ' A' ' 48' ' ' ILE . 9.0 mtp -146.5 119.66 8.87 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.839 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 22.3 t -98.61 111.26 27.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.692 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.406 ' CG1' HG22 ' A' ' 45' ' ' VAL . 10.3 m -106.71 170.23 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.437 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.24 146.44 28.44 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.379 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.31 -48.08 1.19 Allowed 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.127 179.285 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -74.06 125.42 28.27 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.228 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -142.43 25.99 1.82 Allowed 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.4 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.5 mt 65.69 151.61 0.05 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.059 0.457 . . . . 0.0 111.566 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.153 -0.927 . . . . 0.0 110.951 -179.829 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 8.6 m . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 120.743 0.306 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -99.02 124.97 44.39 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.004 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' VAL . . . . . 0.61 HG13 ' CB ' ' A' ' 38' ' ' ASN . 24.4 t -103.61 125.08 58.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.713 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.495 HG23 ' HG2' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -128.89 109.73 11.51 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.18 -179.883 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.899 HD21 HD11 ' A' ' 39' ' ' ILE . 3.2 mm? -100.0 158.33 15.9 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.651 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' VAL . . . . . 0.545 HG13 ' HG3' ' A' ' 71' ' ' LYS . 15.8 t -135.51 98.65 2.1 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 CA-C-O 120.962 0.41 . . . . 0.0 111.228 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.405 ' HA ' HD11 ' A' ' 32' ' ' LEU . 12.5 ttmt -81.2 124.4 29.25 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.594 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 1.3 m -139.67 -58.65 0.57 Allowed 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.42 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.411 ' HB2' ' HB2' ' B' ' 12' ' ' GLU . 0.0 OUTLIER -60.88 131.69 51.49 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.915 -179.793 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.37 -30.8 71.45 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.46 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -98.31 25.49 6.2 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.348 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' GLU . . . . . 0.411 ' HB2' ' HB2' ' B' ' 9' ' ' ARG . 48.6 mm-40 -139.83 107.29 5.56 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.589 0.233 . . . . 0.0 110.93 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -110.25 169.94 8.41 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.858 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' TYR . . . . . 0.768 ' HB3' HD23 ' B' ' 16' ' ' LEU . 49.1 m-85 -58.72 -42.77 89.48 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.025 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 51.4 53.86 26.46 Favored Glycine 0 C--N 1.337 0.602 0 C-N-CA 121.306 -0.473 . . . . 0.0 112.995 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.768 HD23 ' HB3' ' B' ' 14' ' ' TYR . 2.2 pp -119.21 117.94 29.98 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 120.845 0.355 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.475 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -71.7 114.96 10.33 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.544 179.893 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.774 HD11 ' CG2' ' A' ' 22' ' ' ILE . 0.3 OUTLIER -98.88 137.33 37.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.577 -179.372 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.558 ' N ' HD13 ' B' ' 18' ' ' LEU . . . -139.54 179.52 6.51 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.749 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 60.6 p -147.63 154.57 40.81 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.984 0.421 . . . . 0.0 111.753 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -122.03 176.93 5.54 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.694 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.795 HG23 HD11 ' A' ' 18' ' ' LEU . 34.8 mm -131.22 138.3 53.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-O 120.828 0.347 . . . . 0.0 111.292 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.542 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 9.9 p90 -147.62 175.29 10.99 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.0 t -105.27 112.95 40.91 Favored 'Isoleucine or valine' 0 C--O 1.233 0.184 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.982 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.493 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 5.3 tptt -62.72 -38.78 91.82 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.107 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -174.57 174.13 2.76 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 2.9 mt -127.09 133.9 67.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.832 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 37.6 m -73.64 143.27 46.36 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -70.89 148.24 47.97 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.032 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 59.48 38.76 22.44 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.318 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.75 171.36 7.8 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.124 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.459 HD22 ' O ' ' A' ' 6' ' ' VAL . 45.3 mt -55.54 -44.59 76.89 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.212 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.9 -50.62 73.32 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.456 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.82 -36.6 83.73 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.107 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.32 -38.67 71.69 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.182 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.2 -34.29 59.28 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.47 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.84 43.73 65.2 Favored Glycine 0 C--N 1.334 0.438 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.911 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.836 ' HB3' HG13 ' A' ' 3' ' ' VAL . 5.5 m-80 -118.12 -44.15 2.71 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.628 0.214 . . . . 0.0 111.363 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ILE . . . . . 0.799 HG12 HG11 ' A' ' 3' ' ' VAL . 28.2 mt -86.12 136.38 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.154 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -128.98 159.21 36.61 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -64.46 113.84 3.93 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.8 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.72 6.11 47.06 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 121.041 -0.6 . . . . 0.0 113.062 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.34 127.72 33.99 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 117.07 0.435 . . . . 0.0 110.783 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 31.7 t -90.56 101.94 12.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.184 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.691 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 25.9 t -80.6 132.67 31.15 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.454 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.6 HD23 ' HG3' ' B' ' 47' ' ' LYS . 8.4 tt -106.83 -42.88 4.82 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.892 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' LYS . . . . . 0.6 ' HG3' HD23 ' B' ' 46' ' ' LEU . 5.0 mtpm? -127.83 157.96 39.02 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.862 0.363 . . . . 0.0 111.79 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.523 HD12 HD13 ' B' ' 64' ' ' LEU . 22.2 mt -138.87 119.94 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.575 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 44.25 33.99 0.94 Allowed 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.967 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 88.92 37.08 7.43 Favored Glycine 0 C--N 1.335 0.476 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.873 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -152.05 122.08 7.11 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.755 0.277 . . . . 0.0 110.814 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.4 HG22 ' HG3' ' B' ' 47' ' ' LYS . 40.0 t -71.05 139.24 20.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.786 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.466 HG21 HD12 ' B' ' 48' ' ' ILE . 0.6 OUTLIER -122.83 47.59 1.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.482 -179.879 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.66 142.31 35.62 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.824 0.345 . . . . 0.0 110.298 179.014 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ASN . . . . . 0.436 ' O ' HD22 ' A' ' 58' ' ' LEU . 5.9 m-20 69.64 6.42 5.7 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.06 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 3.5 ttm -89.15 -172.22 3.57 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.723 0.297 . . . . 0.0 110.886 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 77.3 p -101.17 149.92 23.49 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.834 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.617 HD11 ' HA ' ' A' ' 19' ' ' ALA . 9.7 tp -56.4 -30.01 62.23 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.818 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -43.09 93.62 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.84 -41.16 86.26 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.754 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.57 -36.56 71.85 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.597 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -67.53 -34.89 78.01 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.627 179.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.27 -41.18 70.35 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.23 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.523 HD13 HD12 ' B' ' 48' ' ' ILE . 0.5 OUTLIER -55.17 -39.47 69.57 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.848 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 42.2 mt -68.8 -31.47 50.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.7 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -69.79 -41.14 75.48 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.746 0.308 . . . . 0.0 110.853 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -74.53 -25.25 59.2 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.597 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 1.2 m -73.92 73.16 1.62 Allowed 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.988 0.423 . . . . 0.0 110.547 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.05 83.99 7.38 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.839 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 140.29 -126.75 3.28 Favored Glycine 0 C--N 1.333 0.399 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.537 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -79.7 131.35 35.93 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.764 0.316 . . . . 0.0 111.154 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.648 HD12 ' CZ ' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -113.68 118.87 35.54 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.709 179.728 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 20.8 ttpp -117.62 105.95 12.59 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.984 0.421 . . . . 0.0 110.642 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -114.93 156.1 25.65 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.82 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 18.7 t -116.8 116.97 53.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.623 HG23 ' HB ' ' A' ' 1' ' ' THR . 6.6 m -101.92 150.84 5.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.404 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -101.76 117.73 35.48 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.736 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -138.56 160.8 38.67 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.746 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 19.3 p-10 -158.73 36.01 0.22 Allowed 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.045 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 54.81 32.23 17.19 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.354 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -121.47 112.43 18.52 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.392 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.007 -0.996 . . . . 0.0 111.208 -179.689 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.438 ' HB ' ' O ' ' B' ' 76' ' ' VAL . 6.8 p . . . . . 0 N--CA 1.493 1.679 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.68 135.63 54.37 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.839 0.352 . . . . 0.0 111.343 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.773 HG13 ' CB ' ' B' ' 38' ' ' ASN . 25.1 t -110.77 130.78 63.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.863 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.9 m -128.8 106.23 8.78 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 120.787 0.327 . . . . 0.0 111.011 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.845 HD11 HD11 ' B' ' 39' ' ' ILE . 32.5 mt -100.98 159.72 14.98 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.662 HG22 ' HG2' ' B' ' 71' ' ' LYS . 19.1 t -130.64 102.21 6.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.225 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.477 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 0.2 OUTLIER -84.59 146.33 27.58 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.869 0.366 . . . . 0.0 111.401 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.8 p -93.44 -16.7 24.27 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.993 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 56.84 29.27 15.81 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 120.651 0.262 . . . . 0.0 111.612 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.6 tptm -118.56 -63.44 1.41 Allowed 'General case' 0 CA--C 1.528 0.118 0 CA-C-O 120.663 0.268 . . . . 0.0 110.379 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -158.07 34.6 0.25 Allowed 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.203 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -146.07 118.16 8.3 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.786 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -103.73 171.32 7.42 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.726 ' HB3' HD23 ' A' ' 16' ' ' LEU . 56.2 m-85 -66.43 -26.96 67.47 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.541 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.54 41.81 82.38 Favored Glycine 0 C--N 1.337 0.616 0 C-N-CA 121.339 -0.457 . . . . 0.0 113.27 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.726 HD23 ' HB3' ' A' ' 14' ' ' TYR . 2.7 pp -113.71 121.89 45.46 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-O 120.839 0.352 . . . . 0.0 110.933 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.451 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -82.91 109.81 17.36 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.744 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.619 HD11 HG23 ' B' ' 22' ' ' ILE . 0.4 OUTLIER -99.93 131.62 45.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 -179.678 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.56 ' HB3' ' CZ ' ' B' ' 23' ' ' PHE . . . -129.1 171.39 12.44 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.767 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.6 p -133.73 150.05 51.49 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 120.968 0.413 . . . . 0.0 111.727 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -113.18 178.12 4.39 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.876 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.625 ' CG2' HD11 ' B' ' 18' ' ' LEU . 21.4 mm -131.7 136.37 57.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-O 120.807 0.337 . . . . 0.0 111.614 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.519 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 18.3 p90 -149.5 179.6 7.84 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.47 HG21 HG23 ' A' ' 39' ' ' ILE . 26.3 t -107.76 116.25 50.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.033 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.503 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 8.4 tptm -62.93 -44.25 96.58 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.426 ' HG3' ' HB2' ' B' ' 17' ' ' ARG . 0.0 OUTLIER -174.6 175.04 2.57 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.881 0.372 . . . . 0.0 111.084 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.543 HD12 ' HG3' ' A' ' 41' ' ' GLU . 3.2 mp -129.79 143.5 40.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.141 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.8 t -80.56 149.79 29.82 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.344 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -81.04 147.53 30.11 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 60.02 35.59 21.46 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.231 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.5 m -113.72 179.45 3.96 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.875 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.472 HD12 ' CD1' ' B' ' 14' ' ' TYR . 40.6 mt -58.61 -38.43 77.97 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.777 179.607 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.516 ' CB ' HD13 ' A' ' 39' ' ' ILE . . . -68.47 -38.74 81.35 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.17 -45.62 92.49 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.126 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.77 -41.5 75.08 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.941 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -64.94 -37.89 89.15 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.318 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.12 37.26 94.62 Favored Glycine 0 C--N 1.335 0.496 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.504 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.617 ' CB ' HG13 ' B' ' 3' ' ' VAL . 0.9 OUTLIER -109.01 -54.81 2.48 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-O 120.514 0.197 . . . . 0.0 111.079 -179.752 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.516 HD13 ' CB ' ' A' ' 33' ' ' ALA . 3.4 mp -69.2 130.25 34.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.932 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -125.7 150.67 47.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.543 ' HG3' HD12 ' A' ' 27' ' ' ILE . 8.3 mt-10 -62.93 116.14 5.02 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.4 -12.66 51.35 Favored Glycine 0 CA--C 1.523 0.572 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.985 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -55.92 137.66 50.09 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.991 0.395 . . . . 0.0 111.256 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.8 t -100.12 109.2 24.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.9 t -86.9 133.57 29.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.439 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -98.71 -41.14 7.82 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.189 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.407 ' CG ' HG22 ' A' ' 52' ' ' VAL . 14.8 mttt -133.55 155.8 48.95 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.017 0.437 . . . . 0.0 111.699 -179.695 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.1 mt -139.14 120.91 16.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.514 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 58.22 31.18 20.48 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.443 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.76 33.58 24.14 Favored Glycine 0 C--N 1.334 0.47 0 C-N-CA 120.83 -0.7 . . . . 0.0 113.252 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -153.0 131.72 12.35 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.865 0.332 . . . . 0.0 110.803 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.718 HG12 ' H ' ' A' ' 54' ' ' GLU . 18.0 t -73.73 139.9 18.61 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.407 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.468 ' HA ' ' HE3' ' A' ' 56' ' ' MET . 0.8 OUTLIER -114.48 19.67 15.98 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.718 ' H ' HG12 ' A' ' 52' ' ' VAL . 1.9 tt0 -76.34 140.04 41.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.005 0.431 . . . . 0.0 110.518 179.511 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.56 ' O ' HD22 ' B' ' 58' ' ' LEU . 7.2 m-20 63.4 17.87 10.62 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.812 -179.337 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.468 ' HE3' ' HA ' ' A' ' 53' ' ' THR . 1.7 ttm -104.94 160.06 15.32 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.784 0.326 . . . . 0.0 110.817 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.0 t -64.98 137.39 57.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.441 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.654 HD11 ' HA ' ' B' ' 19' ' ' ALA . 11.9 tp -54.48 -35.15 62.77 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.747 0.308 . . . . 0.0 110.748 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.24 -39.42 94.56 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.882 179.507 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -58.89 -45.6 89.87 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.779 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.66 -39.01 72.98 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.928 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -63.61 -38.83 92.62 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.76 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.88 -43.23 85.93 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.53 -37.63 68.19 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.787 0.327 . . . . 0.0 110.33 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.512 HG23 HD11 ' A' ' 72' ' ' LEU . 33.4 mt -75.83 -30.89 21.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.831 179.193 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -65.57 -48.54 72.04 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.784 0.326 . . . . 0.0 110.78 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.0 ttp-105 -65.65 -28.92 69.45 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.247 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.427 ' CB ' ' HG ' ' A' ' 72' ' ' LEU . 4.3 m -65.41 95.51 0.21 Allowed 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.72 0.295 . . . . 0.0 110.888 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -120.64 47.81 1.72 Allowed 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.921 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -178.37 -62.31 0.07 OUTLIER Glycine 0 C--N 1.334 0.424 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.882 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -138.21 123.24 19.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.629 0.252 . . . . 0.0 110.775 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.756 HD12 ' CE2' ' B' ' 14' ' ' TYR . 0.4 OUTLIER -108.93 137.12 47.36 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.026 -179.905 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -125.4 134.11 52.26 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.803 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -137.16 150.32 47.86 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.958 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.6 t -121.45 112.62 36.11 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.089 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.416 HG12 ' N ' ' A' ' 77' ' ' GLN . 17.4 t -101.54 159.32 4.11 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.416 ' N ' HG12 ' A' ' 76' ' ' VAL . 3.5 tp60 -93.12 141.38 28.47 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.72 0.295 . . . . 0.0 111.073 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.3 164.0 15.87 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.358 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 64.18 90.34 0.08 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.316 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -71.65 -39.95 70.01 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.199 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.0 pp -69.52 145.71 52.43 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.795 0.331 . . . . 0.0 110.838 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.495 -0.764 . . . . 0.0 111.058 -179.827 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 120.733 0.302 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.31 124.04 49.21 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.894 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 3' ' ' VAL . . . . . 0.617 HG13 ' CB ' ' A' ' 38' ' ' ASN . 22.3 t -103.52 127.49 57.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.107 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 1.7 m -128.53 105.81 8.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.869 0.366 . . . . 0.0 110.743 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.486 HD11 HD11 ' A' ' 39' ' ' ILE . 73.0 mt -100.36 157.62 16.48 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.779 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 10.5 t -128.58 105.91 13.74 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-O 120.886 0.374 . . . . 0.0 111.315 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 1.9 ttmm -84.71 145.83 27.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.896 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 2.0 m -127.69 172.99 10.29 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.779 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.93 88.97 5.29 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.392 -179.66 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.33 -177.75 1.3 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.031 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -90.97 74.9 6.39 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.919 0.39 . . . . 0.0 111.475 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -173.25 73.21 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.909 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -69.67 -178.11 1.4 Allowed 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.027 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' TYR . . . . . 0.756 ' CE2' HD12 ' A' ' 72' ' ' LEU . 25.5 m-85 -55.05 -37.45 66.72 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.253 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.76 46.36 93.54 Favored Glycine 0 C--N 1.337 0.601 0 C-N-CA 121.156 -0.545 . . . . 0.0 113.191 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.657 HD23 ' HB3' ' B' ' 14' ' ' TYR . 2.2 pp -117.2 119.78 36.25 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.849 0.357 . . . . 0.0 110.737 179.669 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.503 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -77.99 117.52 19.39 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.789 -179.761 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.625 HD11 ' CG2' ' A' ' 22' ' ' ILE . 0.2 OUTLIER -100.49 138.58 37.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.212 -179.564 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.654 ' HA ' HD11 ' A' ' 58' ' ' LEU . . . -140.13 179.09 6.83 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.399 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 57.7 p -143.76 157.99 43.99 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.922 0.392 . . . . 0.0 111.65 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' HIS . . . . . 0.479 ' O ' HD12 ' B' ' 22' ' ' ILE . 0.1 OUTLIER -118.92 178.24 4.56 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.722 179.899 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.619 HG23 HD11 ' A' ' 18' ' ' LEU . 1.0 OUTLIER -134.15 132.71 55.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.684 179.785 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 12.5 p90 -144.63 177.33 8.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.043 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -105.45 116.4 49.18 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.177 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.451 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 4.3 tptp -66.43 -44.88 81.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.966 179.539 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -176.95 174.26 1.75 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.896 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ILE . . . . . 0.463 ' CG2' ' HB3' ' B' ' 33' ' ' ALA . 3.9 mp -125.07 135.5 63.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.74 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 39.2 t -83.89 148.45 26.94 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.251 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -69.72 156.59 38.75 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 58.98 36.64 24.53 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.924 -179.626 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 23.1 p -118.9 168.9 10.34 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.457 HD12 ' CD1' ' A' ' 14' ' ' TYR . 26.3 mt -62.53 -38.45 90.03 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.112 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.469 ' HB2' HD12 ' B' ' 39' ' ' ILE . . . -62.31 -41.13 98.27 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.61 0.243 . . . . 0.0 111.035 179.509 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.2 -42.78 96.5 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.107 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -71.02 -43.02 68.79 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.679 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -63.46 -37.22 86.46 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.312 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.1 30.42 77.71 Favored Glycine 0 C--N 1.335 0.508 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.816 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.773 ' CB ' HG13 ' A' ' 3' ' ' VAL . 10.7 m-80 -110.15 -33.21 6.73 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 111.578 0.214 . . . . 0.0 111.578 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ILE . . . . . 0.845 HD11 HD11 ' A' ' 5' ' ' LEU . 26.4 mt -91.67 132.44 36.11 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-O 120.705 0.288 . . . . 0.0 111.133 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -130.97 162.68 29.21 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.024 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -67.71 124.33 22.97 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.819 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.19 -17.74 56.56 Favored Glycine 0 CA--C 1.521 0.424 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.917 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -54.21 120.3 6.3 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.936 0.368 . . . . 0.0 110.941 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 41.0 t -86.1 103.27 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.303 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' VAL . . . . . 0.443 HG11 HG12 ' B' ' 48' ' ' ILE . 19.9 t -71.56 108.81 3.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 CA-C-O 121.022 0.439 . . . . 0.0 111.331 -179.455 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.477 HD13 ' CG ' ' B' ' 77' ' ' GLN . 1.2 mp -74.43 -50.14 19.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.087 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 21.3 mttp -139.13 149.73 44.84 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.905 0.383 . . . . 0.0 111.241 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.556 HG23 ' HG3' ' B' ' 74' ' ' MET . 45.9 mt -131.56 122.7 50.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.529 179.357 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 57.74 35.13 25.25 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.837 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.95 33.71 44.92 Favored Glycine 0 C--N 1.337 0.601 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.988 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.63 131.05 19.76 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.737 0.268 . . . . 0.0 110.611 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.516 HG12 ' H ' ' B' ' 54' ' ' GLU . 17.4 t -61.71 139.4 20.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.162 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.612 ' O ' HD13 ' B' ' 22' ' ' ILE . 1.0 OUTLIER -115.09 36.29 3.96 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.092 179.81 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 54' ' ' GLU . . . . . 0.516 ' H ' HG12 ' B' ' 52' ' ' VAL . 1.2 tt0 -104.15 148.45 26.27 Favored 'General case' 0 N--CA 1.458 -0.049 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 178.615 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ASN . . . . . 0.551 ' O ' HD22 ' A' ' 58' ' ' LEU . 0.3 OUTLIER 54.13 15.63 0.96 Allowed 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.15 -179.088 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -95.24 138.2 33.26 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.666 0.27 . . . . 0.0 110.432 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 4.6 m -56.73 146.64 25.2 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.978 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.56 HD22 ' O ' ' A' ' 55' ' ' ASN . 42.9 tp -53.87 -32.83 54.51 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.729 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.57 -38.8 84.59 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.608 179.676 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -57.51 -42.11 82.14 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.48 -39.51 76.59 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.935 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' LYS . . . . . 0.428 ' HA ' HD12 ' B' ' 65' ' ' ILE . 6.1 mttp -64.24 -39.51 94.11 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.486 179.179 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.85 -38.14 87.14 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.045 179.541 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.444 HD13 ' HB ' ' B' ' 48' ' ' ILE . 9.2 mt -55.73 -38.47 69.81 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.778 0.323 . . . . 0.0 110.296 179.609 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 65' ' ' ILE . . . . . 0.428 HD12 ' HA ' ' B' ' 62' ' ' LYS . 8.5 mt -74.58 -31.4 27.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.81 179.26 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -69.07 -52.19 31.05 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.01 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -58.83 -31.3 68.37 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.323 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' SER . . . . . 0.408 ' CB ' ' HG ' ' B' ' 72' ' ' LEU . 2.0 m -60.45 116.15 4.1 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.213 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -60.93 -80.02 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.126 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -120.88 -67.25 0.27 Allowed Glycine 0 C--N 1.335 0.521 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.692 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' LYS . . . . . 0.662 ' HG2' HG22 ' A' ' 6' ' ' VAL . 33.5 mttt -77.73 129.3 35.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.702 0.287 . . . . 0.0 110.945 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.66 HD12 ' CZ ' ' A' ' 14' ' ' TYR . 0.6 OUTLIER -115.11 147.99 39.53 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.06 121.26 33.82 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.789 179.607 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.556 ' HG3' HG23 ' B' ' 48' ' ' ILE . 14.0 mtp -127.97 123.44 34.8 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.738 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 29.7 t -98.17 119.07 45.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.747 0.308 . . . . 0.0 111.113 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.438 ' O ' ' HB ' ' A' ' 1' ' ' THR . 28.0 m -112.77 170.19 4.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.479 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 77' ' ' GLN . . . . . 0.477 ' CG ' HD13 ' B' ' 46' ' ' LEU . 29.0 mm100 -127.27 157.96 38.46 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.001 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 41.9 mtm180 65.94 -177.65 0.19 Allowed 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.289 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 56.91 79.31 0.19 Allowed 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.32 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -125.17 169.17 12.48 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.241 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -139.89 160.13 40.61 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.125 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.256 -0.878 . . . . 0.0 111.066 179.503 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.489 1.492 0 CA-C-O 120.569 0.223 . . . . 0.0 111.285 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.0 mttm -119.48 125.19 48.3 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.153 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.698 HG11 ' CG1' ' B' ' 39' ' ' ILE . 21.6 t -104.4 124.59 59.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.8 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.422 HG23 ' HG2' ' B' ' 73' ' ' LYS . 0.2 OUTLIER -128.23 108.51 10.66 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 120.846 0.355 . . . . 0.0 110.937 -179.779 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.673 ' CD2' HG12 ' A' ' 3' ' ' VAL . 3.5 mm? -103.45 160.41 14.74 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.794 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.3 t -128.77 99.69 5.09 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.977 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.46 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 1.5 ttmm -85.7 143.97 28.07 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.081 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.3 t -91.12 161.81 14.94 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -98.25 32.78 2.36 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.041 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.63 -72.94 0.7 Allowed 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.348 179.621 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -172.6 39.33 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -110.4 129.5 55.75 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.068 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -108.38 155.34 20.66 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.747 ' CE2' HD12 ' B' ' 72' ' ' LEU . 76.0 m-85 -61.1 -38.16 85.34 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.363 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.36 41.1 53.52 Favored Glycine 0 C--N 1.336 0.564 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.817 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.848 HD22 HD13 ' B' ' 39' ' ' ILE . 2.4 pp -127.09 126.26 42.69 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.788 0.327 . . . . 0.0 110.911 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.426 ' CB ' ' HB3' ' B' ' 25' ' ' LYS . 1.6 mtt180 -83.03 117.09 22.58 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.457 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.726 HD11 ' CG2' ' B' ' 22' ' ' ILE . 0.3 OUTLIER -97.28 132.85 42.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.083 -179.695 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.547 ' HB3' ' CZ ' ' B' ' 23' ' ' PHE . . . -139.2 166.78 23.64 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.16 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 87.8 p -118.6 149.76 40.82 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.844 0.354 . . . . 0.0 111.226 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -115.62 174.92 5.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 34.6 mm -129.65 136.89 58.13 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.942 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.767 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 13.4 p90 -144.14 173.12 12.01 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.3 t -98.09 114.58 35.91 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.831 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.645 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 4.5 tttm -66.92 -38.97 87.2 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.511 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -179.56 178.54 0.66 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.919 0.39 . . . . 0.0 111.196 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.428 HG23 ' HB3' ' A' ' 33' ' ' ALA . 3.1 mp -128.73 144.38 38.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.983 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.4 t -84.58 158.51 20.88 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.902 0.382 . . . . 0.0 111.039 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -84.66 143.56 29.14 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.248 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 59.94 33.71 21.5 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.572 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.1 m -112.05 175.52 5.4 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.581 -0.282 . . . . 0.0 111.069 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' B' ' 14' ' ' TYR . 72.0 mt -55.26 -45.42 76.1 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.958 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.428 ' HB3' HG23 ' A' ' 27' ' ' ILE . . . -61.51 -45.0 96.04 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.216 179.502 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.3 -40.51 96.07 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.82 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -70.83 -43.18 69.11 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.745 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.422 ' CG ' HD23 ' B' ' 5' ' ' LEU . 0.5 OUTLIER -65.07 -40.86 95.27 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.187 179.717 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.53 32.72 82.47 Favored Glycine 0 C--N 1.334 0.464 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.541 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.646 ' HB3' HG13 ' B' ' 3' ' ' VAL . 2.7 m-80 -109.6 -32.38 7.13 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 111.478 0.177 . . . . 0.0 111.478 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.764 HG13 HG11 ' B' ' 3' ' ' VAL . 2.0 mt -93.1 134.89 29.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.315 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -123.5 139.56 53.89 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.602 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.421 ' N ' HD11 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -60.06 128.54 37.31 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.768 0.318 . . . . 0.0 110.712 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.44 -21.16 42.04 Favored Glycine 0 CA--C 1.521 0.439 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.714 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -56.41 148.88 17.99 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.829 0.347 . . . . 0.0 111.279 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.8 t -106.52 117.73 52.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.841 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.494 HG22 ' CG1' ' A' ' 76' ' ' VAL . 21.9 t -95.02 119.93 43.75 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.246 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.414 ' O ' HD23 ' A' ' 46' ' ' LEU . 2.8 tt -88.99 -45.33 9.74 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.99 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -124.14 151.77 43.57 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.992 0.425 . . . . 0.0 111.455 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 36.3 mt -139.59 121.57 16.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.509 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 59.51 35.44 22.76 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.392 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.3 28.89 63.05 Favored Glycine 0 C--N 1.336 0.573 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.821 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.71 145.98 37.2 Favored 'General case' 0 C--O 1.23 0.071 0 CA-C-N 116.673 0.237 . . . . 0.0 110.633 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.68 HG12 ' H ' ' A' ' 54' ' ' GLU . 21.7 t -77.4 138.16 20.98 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.616 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.68 19.83 14.33 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.674 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.68 ' H ' HG12 ' A' ' 52' ' ' VAL . 0.3 OUTLIER -82.15 150.52 27.39 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.298 179.098 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 51.83 18.88 0.84 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.375 -179.345 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.8 tpp -96.43 170.98 8.85 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.755 0.312 . . . . 0.0 110.78 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.0 m -80.0 143.46 34.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.739 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.762 HD13 ' HA ' ' B' ' 55' ' ' ASN . 0.7 OUTLIER -56.07 -34.71 66.22 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.697 179.614 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.78 -38.56 73.41 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.558 179.706 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -56.85 -45.2 82.56 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.77 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.63 -38.53 75.14 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.9 -36.36 84.12 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.522 179.182 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.15 -41.54 97.13 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.0 mt -54.17 -36.18 63.1 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.287 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.2 mt -66.79 -34.34 69.38 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.823 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -77.03 -45.59 26.69 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.64 0.257 . . . . 0.0 111.012 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.9 ttp85 -66.27 -14.8 62.55 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.834 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 70.2 m -51.94 114.18 1.22 Allowed 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.84 0.352 . . . . 0.0 111.206 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.25 78.47 0.98 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.497 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 76.8 -93.56 1.05 Allowed Glycine 0 C--N 1.334 0.418 0 C-N-CA 121.14 -0.552 . . . . 0.0 112.184 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.18 141.94 49.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.828 0.346 . . . . 0.0 111.468 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.668 HD12 ' CE2' ' B' ' 14' ' ' TYR . 0.6 OUTLIER -112.27 146.02 38.93 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.852 179.892 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -127.17 123.65 37.2 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.504 179.325 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 41.8 mtm -130.53 131.33 45.02 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.856 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.1 t -108.14 112.99 42.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.976 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.494 ' CG1' HG22 ' A' ' 45' ' ' VAL . 19.9 m -110.81 175.6 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.793 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -99.69 135.82 40.54 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.012 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.76 149.82 0.08 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.299 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -138.72 107.4 5.91 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.328 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -123.47 86.43 2.57 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.488 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -79.32 136.4 37.0 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.883 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.092 -0.956 . . . . 0.0 111.223 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.494 1.756 0 CA-C-O 120.747 0.308 . . . . 0.0 111.426 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.08 136.23 52.68 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.759 0.314 . . . . 0.0 110.862 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 3' ' ' VAL . . . . . 0.764 HG11 HG13 ' A' ' 39' ' ' ILE . 44.0 t -106.2 129.92 58.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.065 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.28 105.81 8.8 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.561 179.684 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.748 HD11 HD11 ' A' ' 39' ' ' ILE . 86.4 mt -98.4 160.74 14.08 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.85 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 21.9 t -124.44 101.68 9.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.06 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.549 ' HB2' ' CZ ' ' B' ' 14' ' ' TYR . 0.2 OUTLIER -87.44 131.8 34.2 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.072 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 4.3 p -176.79 -177.86 0.82 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.79 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -86.57 54.78 3.28 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 121.009 0.433 . . . . 0.0 110.517 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -102.43 -53.8 2.81 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.727 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -130.17 -56.26 1.1 Allowed 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.798 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -179.71 -169.79 0.14 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.975 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -66.97 -178.38 0.75 Allowed 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.952 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' TYR . . . . . 0.668 ' CE2' HD12 ' A' ' 72' ' ' LEU . 65.1 m-85 -59.21 -36.67 75.8 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.198 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.42 49.61 71.68 Favored Glycine 0 C--N 1.338 0.645 0 C-N-CA 121.235 -0.507 . . . . 0.0 112.885 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.625 HD13 HD13 ' B' ' 18' ' ' LEU . 2.7 pp -128.28 132.41 48.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.822 0.344 . . . . 0.0 111.162 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.645 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -88.84 127.76 35.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.344 179.481 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.625 HD13 HD13 ' B' ' 16' ' ' LEU . 0.6 OUTLIER -124.73 150.55 46.08 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.062 0.458 . . . . 0.0 111.469 -179.813 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.767 ' HB3' ' CZ ' ' A' ' 23' ' ' PHE . . . -145.7 178.45 8.14 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.956 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.616 ' HB3' HD12 ' A' ' 58' ' ' LEU . 53.7 p -129.47 153.62 47.78 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.031 0.443 . . . . 0.0 111.708 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -123.48 -177.18 3.64 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.469 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.726 ' CG2' HD11 ' A' ' 18' ' ' LEU . 33.4 mm -128.33 140.63 48.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.107 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.547 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 4.9 p90 -149.43 179.21 8.13 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.052 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 19.3 t -108.62 117.51 54.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.101 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.426 ' HB3' ' CB ' ' A' ' 17' ' ' ARG . 5.7 tptt -60.48 -50.65 72.72 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.08 179.527 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -176.54 159.46 1.9 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.937 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ILE . . . . . 0.753 HG21 ' HB3' ' B' ' 33' ' ' ALA . 3.6 mp -115.71 138.13 47.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.96 179.709 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 31.0 m -75.38 146.04 41.15 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -69.01 147.91 50.89 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.07 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 t70 59.98 41.45 17.51 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.028 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 23.6 p -114.02 176.62 4.96 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.623 HD12 ' HA ' ' A' ' 14' ' ' TYR . 13.3 mt -58.46 -37.6 75.79 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 179.56 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.753 ' HB3' HG21 ' B' ' 27' ' ' ILE . . . -69.23 -41.9 76.39 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.251 179.617 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.02 -38.78 76.85 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.091 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -78.7 -35.16 45.41 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.823 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -68.08 -43.52 78.35 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.303 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.29 38.37 53.66 Favored Glycine 0 C--N 1.334 0.45 0 C-N-CA 120.955 -0.641 . . . . 0.0 112.484 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.68 ' CB ' HG13 ' A' ' 3' ' ' VAL . 6.8 m-80 -122.82 -45.91 2.13 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.505 0.193 . . . . 0.0 111.339 -179.59 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ILE . . . . . 0.848 HD13 HD22 ' A' ' 16' ' ' LEU . 19.0 mt -80.92 130.66 35.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.106 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -137.02 162.2 33.97 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.117 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -69.17 128.7 37.57 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.667 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 96.08 -20.44 50.05 Favored Glycine 0 CA--C 1.523 0.536 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.808 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -54.57 117.96 3.78 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.913 0.356 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.0 t -87.31 112.24 22.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.059 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' VAL . . . . . 0.437 HG11 HG12 ' B' ' 48' ' ' ILE . 20.3 t -86.41 114.97 26.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.164 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.46 -39.72 17.2 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.157 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 11.4 mtmt -131.27 153.69 49.28 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.182 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.494 ' HB ' HD13 ' B' ' 64' ' ' LEU . 30.2 mt -142.25 123.43 12.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.533 179.459 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 58.84 33.24 22.93 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.358 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.12 30.59 58.78 Favored Glycine 0 C--N 1.336 0.566 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.514 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 6.4 m -142.55 137.38 30.1 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.55 0.214 . . . . 0.0 110.609 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.487 HG12 ' H ' ' B' ' 54' ' ' GLU . 30.4 t -68.92 143.13 15.36 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.754 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.46 37.87 4.31 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.557 -179.595 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 54' ' ' GLU . . . . . 0.487 ' H ' HG12 ' B' ' 52' ' ' VAL . 0.1 OUTLIER -105.28 141.93 35.94 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.629 -0.26 . . . . 0.0 110.416 179.402 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ASN . . . . . 0.762 ' HA ' HD13 ' A' ' 58' ' ' LEU . 0.5 OUTLIER 69.48 6.02 5.47 Favored 'General case' 0 CA--C 1.537 0.442 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.228 -179.841 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -95.21 161.38 14.13 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.966 0.412 . . . . 0.0 111.11 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 2.4 p -72.22 145.93 47.65 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.713 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 18.8 tp -55.92 -30.08 61.09 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.168 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.7 -38.86 92.69 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.738 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -59.99 -39.86 87.15 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.855 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.23 -39.36 82.48 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.546 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 15.1 mtmt -62.72 -36.62 83.59 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.291 179.024 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.84 -37.87 85.3 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.993 179.459 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.494 HD13 ' HB ' ' B' ' 48' ' ' ILE . 2.3 mt -55.13 -35.05 64.27 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.81 0.338 . . . . 0.0 110.761 179.594 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 65' ' ' ILE . . . . . 0.412 HG23 HD11 ' B' ' 72' ' ' LEU . 24.5 mt -75.9 -32.23 23.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.875 179.352 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -76.07 -48.3 21.32 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.223 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' ARG . . . . . 0.409 ' HG2' ' HA ' ' B' ' 64' ' ' LEU . 14.6 ptm180 -57.38 -24.55 56.07 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.477 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 11.7 t -50.8 110.94 0.47 Allowed 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.276 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.41 61.06 4.72 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.112 0.482 . . . . 0.0 110.502 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 104.4 -79.54 0.3 Allowed Glycine 0 C--N 1.335 0.505 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.679 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -84.82 133.05 34.34 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.764 0.316 . . . . 0.0 111.456 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.747 HD12 ' CE2' ' A' ' 14' ' ' TYR . 0.4 OUTLIER -108.08 141.91 39.06 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.673 179.514 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 73' ' ' LYS . . . . . 0.422 ' HG2' HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER -122.93 123.18 40.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.583 179.373 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 4.7 mtp -129.1 125.46 37.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.685 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 15.5 t -98.2 122.21 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.456 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.412 HG12 ' N ' ' B' ' 77' ' ' GLN . 14.3 t -100.25 159.29 3.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.555 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 77' ' ' GLN . . . . . 0.412 ' N ' HG12 ' B' ' 76' ' ' VAL . 13.7 tt0 -92.77 117.24 29.79 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.794 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.37 160.02 14.73 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.416 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -120.53 107.61 13.07 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.666 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 59.54 76.74 0.34 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.185 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 9.0 tp -163.28 134.65 4.86 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.182 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 . . . . . 0 C--O 1.251 1.158 0 CA-C-O 118.534 -0.746 . . . . 0.0 111.089 179.49 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.5 p . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 120.546 0.212 . . . . 0.0 111.548 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.86 126.45 31.03 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.086 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.764 HG22 ' HB3' ' B' ' 38' ' ' ASN . 15.6 t -115.4 128.35 72.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.99 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.3 m -128.82 113.98 15.97 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 120.766 0.317 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.695 HD21 HD11 ' B' ' 39' ' ' ILE . 2.7 mm? -110.89 158.36 18.82 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.97 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.579 HG22 ' HD2' ' B' ' 71' ' ' LYS . 20.8 t -135.3 101.06 2.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.993 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.525 ' HG3' ' HA2' ' B' ' 70' ' ' GLY . 2.2 ptpt -73.98 138.16 43.97 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.081 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.5 t -86.01 169.48 13.17 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.136 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -83.78 69.8 10.26 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.066 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.404 ' HD2' ' HB2' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -174.84 -169.02 0.39 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.748 179.908 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -77.32 64.58 2.73 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.053 0.454 . . . . 0.0 110.593 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.404 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 1.4 tp10 -145.85 85.38 1.69 Allowed 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.722 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -89.17 179.05 6.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.304 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.911 ' CE2' HD12 ' B' ' 72' ' ' LEU . 14.5 m-85 -66.96 -30.08 70.11 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.93 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.84 47.41 89.01 Favored Glycine 0 C--N 1.335 0.501 0 C-N-CA 121.297 -0.478 . . . . 0.0 113.125 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.584 HD23 ' HB3' ' A' ' 14' ' ' TYR . 1.9 pp -116.56 120.57 39.14 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.925 0.393 . . . . 0.0 111.058 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.539 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -72.79 122.42 21.52 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.827 -179.899 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.47 HD23 ' CD1' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -102.14 140.05 36.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.449 -179.639 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.503 ' HB3' ' CZ ' ' B' ' 23' ' ' PHE . . . -146.37 172.17 13.91 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.154 179.527 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 90.5 p -139.3 152.7 47.44 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.991 0.424 . . . . 0.0 111.944 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.451 ' HD2' ' CE1' ' B' ' 23' ' ' PHE . 0.2 OUTLIER -123.75 -179.29 4.32 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.751 179.9 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.617 HG13 HG22 ' A' ' 53' ' ' THR . 27.3 mm -131.63 142.54 42.9 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.098 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.47 ' CE1' ' HD2' ' B' ' 21' ' ' HIS . 11.6 p90 -149.02 179.44 7.88 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.18 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.557 HG21 HG23 ' A' ' 39' ' ' ILE . 25.6 t -103.02 112.84 37.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.027 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.55 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 9.8 tptt -58.35 -41.93 85.77 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.096 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -176.49 171.62 2.33 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.792 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 mp -126.58 141.51 45.79 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-O 120.786 0.327 . . . . 0.0 111.036 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.3 t -83.48 147.6 27.73 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.109 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.64 147.0 44.16 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.596 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.8 t0 58.85 49.35 9.98 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.585 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.92 169.27 14.15 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.959 -179.63 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.457 ' HB2' ' HA ' ' B' ' 14' ' ' TYR . 26.8 mt -55.39 -43.25 75.02 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.173 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.609 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -61.01 -48.1 83.38 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.132 179.655 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.97 -36.99 86.19 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.14 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -37.5 68.12 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.036 179.76 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.402 ' CG ' HD13 ' B' ' 5' ' ' LEU . 0.5 OUTLIER -73.26 -33.76 65.44 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.537 -179.774 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.1 41.0 61.21 Favored Glycine 0 C--N 1.333 0.407 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.723 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.714 ' HB3' HG13 ' B' ' 3' ' ' VAL . 14.8 m-80 -122.55 -47.2 2.11 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.505 0.193 . . . . 0.0 111.166 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.842 ' CD1' HG11 ' B' ' 3' ' ' VAL . 30.9 mm -77.05 118.78 24.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.01 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.6 tp60 -117.37 154.31 31.53 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.646 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.18 109.13 0.7 Allowed 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.649 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.92 5.67 50.17 Favored Glycine 0 CA--C 1.525 0.675 0 C-N-CA 120.843 -0.694 . . . . 0.0 113.125 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.8 105.47 0.38 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.943 0.371 . . . . 0.0 110.838 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.2 t -74.7 105.4 3.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.679 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.518 HG22 ' CG1' ' A' ' 76' ' ' VAL . 22.0 t -86.42 128.12 39.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.448 -179.495 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.8 tt -98.77 -38.76 8.94 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.116 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -134.55 152.81 52.04 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.852 0.358 . . . . 0.0 111.561 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.594 ' HB ' HD13 ' A' ' 64' ' ' LEU . 32.1 mt -139.37 115.34 9.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.679 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 49.3 m-20 55.56 39.06 30.96 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.243 -179.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.68 25.86 64.17 Favored Glycine 0 CA--C 1.523 0.589 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.911 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -131.6 127.97 38.2 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.776 0.288 . . . . 0.0 110.437 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 13.8 t -63.74 141.3 18.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.939 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.617 HG22 HG13 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -124.0 40.35 3.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.101 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -112.95 140.88 47.38 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.68 0.276 . . . . 0.0 110.28 179.284 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.401 ' HB3' HD22 ' B' ' 58' ' ' LEU . 11.9 m-20 63.52 13.05 6.9 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.896 -179.371 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.9 tpp -97.61 164.14 12.55 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.788 0.327 . . . . 0.0 110.989 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.1 m -73.27 142.2 47.21 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.865 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.627 HD11 ' HA ' ' B' ' 19' ' ' ALA . 12.5 tp -54.28 -33.81 59.48 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.151 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.28 -37.13 84.71 Favored 'General case' 0 CA--C 1.527 0.077 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.882 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -55.11 -41.94 72.3 Favored 'General case' 0 C--O 1.232 0.184 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.0 -38.23 90.37 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.37 178.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 63' ' ' THR . 0.0 OUTLIER -63.61 -33.03 74.71 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.505 179.217 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.472 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 0.3 OUTLIER -71.01 -40.07 72.01 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.967 179.774 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.594 HD13 ' HB ' ' A' ' 48' ' ' ILE . 12.7 mt -54.25 -38.0 65.31 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.926 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.444 ' HA ' HD11 ' A' ' 72' ' ' LEU . 34.0 mt -70.62 -31.79 47.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.063 179.51 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -76.37 -50.67 13.6 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.002 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -67.01 -18.24 65.28 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.0 t -52.73 113.77 1.19 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.726 0.298 . . . . 0.0 111.28 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -88.64 83.16 6.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.598 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.44 ' O ' ' HB3' ' B' ' 7' ' ' LYS . . . 91.64 -120.95 6.18 Favored Glycine 0 C--N 1.334 0.428 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.788 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.39 145.5 53.83 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 120.722 0.296 . . . . 0.0 111.545 -179.625 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.504 HD12 ' CZ ' ' B' ' 14' ' ' TYR . 0.4 OUTLIER -122.14 132.24 54.37 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.218 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.44 130.74 55.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.559 179.591 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 10.1 mtp -139.61 129.68 25.07 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.773 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.5 t -99.22 111.27 28.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.963 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.518 ' CG1' HG22 ' A' ' 45' ' ' VAL . 30.8 m -113.85 172.56 3.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.195 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.97 103.7 12.79 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.77 179.343 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.441 ' H ' HG22 ' B' ' 1' ' ' THR . 0.0 OUTLIER -111.22 26.57 10.55 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.928 179.696 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.92 36.6 4.19 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.718 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 57.84 32.39 21.85 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.224 -179.621 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.2 87.56 7.35 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.928 0.394 . . . . 0.0 110.52 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.825 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 1' ' ' THR . . . . . 0.441 HG22 ' H ' ' A' ' 78' ' ' ARG . 19.7 p . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -128.55 137.28 51.66 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.695 0.283 . . . . 0.0 111.025 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 3' ' ' VAL . . . . . 0.842 HG11 ' CD1' ' A' ' 39' ' ' ILE . 33.2 t -115.14 123.33 70.67 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.131 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 7.1 m -128.58 106.58 9.06 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 120.837 0.351 . . . . 0.0 111.155 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.636 ' CD2' HG12 ' B' ' 3' ' ' VAL . 3.8 mm? -98.36 160.47 14.26 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.773 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 18.4 t -125.72 99.42 5.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-O 120.83 0.348 . . . . 0.0 111.171 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.44 ' HB3' ' O ' ' A' ' 70' ' ' GLY . 17.5 ttmt -85.7 100.48 12.03 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.841 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.75 124.74 33.91 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.926 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 9.8 mtm180 64.36 -175.04 0.17 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.45 24.28 7.53 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.037 179.562 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -120.03 -38.06 3.0 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.397 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -74.0 85.09 1.78 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.839 0.352 . . . . 0.0 111.015 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -76.61 161.65 28.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' TYR . . . . . 0.66 ' HB3' HD23 ' B' ' 16' ' ' LEU . 72.5 m-85 -74.3 -38.85 63.24 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.555 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.62 27.56 72.31 Favored Glycine 0 CA--C 1.522 0.483 0 C-N-CA 120.935 -0.65 . . . . 0.0 113.142 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.66 HD23 ' HB3' ' B' ' 14' ' ' TYR . 3.0 pp -110.2 120.5 42.64 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.956 0.378 . . . . 0.0 110.601 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.55 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 16.1 ttt-85 -77.82 123.32 26.58 Favored 'General case' 0 N--CA 1.461 0.102 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.079 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.7 143.31 27.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.363 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.627 ' HA ' HD11 ' A' ' 58' ' ' LEU . . . -148.24 175.05 11.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.818 179.465 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 87.5 p -142.71 153.95 43.84 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.057 0.456 . . . . 0.0 111.902 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' HIS . . . . . 0.47 ' HD2' ' CE1' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -125.5 176.27 6.95 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.646 179.891 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.416 HG13 ' HB ' ' B' ' 53' ' ' THR . 44.7 mm -129.08 139.17 52.56 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.071 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.503 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 10.2 p90 -144.61 178.42 7.98 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 120.895 0.379 . . . . 0.0 111.327 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 17.6 t -105.66 112.78 40.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.021 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.539 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 18.4 tptp -59.67 -39.4 84.35 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.17 179.629 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -177.8 173.93 1.52 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.929 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ILE . . . . . 0.467 HG21 ' HB3' ' B' ' 33' ' ' ALA . 3.4 mp -129.71 137.76 55.9 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.882 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 6.2 t -73.22 149.36 42.91 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.244 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 6.0 pm0 -74.87 148.91 39.77 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.049 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 58.07 31.03 20.16 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.393 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 12.0 p -101.46 177.67 4.86 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 120.749 0.309 . . . . 0.0 111.013 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.478 HD11 ' HA ' ' A' ' 7' ' ' LYS . 48.8 mt -59.49 -37.51 78.46 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.621 179.583 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.467 ' HB3' HG21 ' B' ' 27' ' ' ILE . . . -69.57 -35.97 75.87 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.992 179.135 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.32 -47.53 85.06 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.05 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 3.2 mmt180 -70.35 -36.43 74.19 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.586 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -67.89 -38.8 83.47 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.169 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.72 36.3 93.1 Favored Glycine 0 C--N 1.335 0.5 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.897 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.764 ' HB3' HG22 ' A' ' 3' ' ' VAL . 30.7 m-20 -113.63 -37.79 4.49 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -179.639 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ILE . . . . . 0.715 HG13 HG11 ' A' ' 3' ' ' VAL . 3.1 mt -91.91 134.4 30.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-O 120.684 0.278 . . . . 0.0 111.392 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -129.93 148.2 51.77 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.16 121.82 11.63 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.803 0.335 . . . . 0.0 111.001 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.52 -20.08 37.9 Favored Glycine 0 CA--C 1.522 0.503 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.779 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -55.66 135.69 51.08 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.767 0.318 . . . . 0.0 111.162 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 20.4 t -96.63 123.12 48.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.138 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 21.3 t -90.48 140.21 16.31 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.243 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.567 HD11 ' N ' ' B' ' 77' ' ' GLN . 1.1 mp -109.67 -40.09 4.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -139.01 149.03 44.2 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.786 0.327 . . . . 0.0 111.285 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.653 HD12 HG21 ' B' ' 53' ' ' THR . 29.3 mt -137.33 122.48 25.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.467 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 58.33 35.06 24.58 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.177 -179.537 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.95 28.96 59.71 Favored Glycine 0 C--N 1.335 0.504 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.774 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -141.15 130.77 24.04 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.667 0.233 . . . . 0.0 110.609 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.634 HG12 ' H ' ' B' ' 54' ' ' GLU . 15.8 t -67.61 140.41 19.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.629 179.679 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.653 HG21 HD12 ' B' ' 48' ' ' ILE . 0.0 OUTLIER -118.44 26.76 9.37 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.426 179.845 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 54' ' ' GLU . . . . . 0.634 ' H ' HG12 ' B' ' 52' ' ' VAL . 0.2 OUTLIER -88.03 151.16 22.96 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 120.739 0.304 . . . . 0.0 110.43 179.204 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 51.84 16.18 0.47 Allowed 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.557 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 1.6 ttm -99.03 162.11 13.25 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.778 0.323 . . . . 0.0 110.724 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 30.9 t -71.94 145.83 48.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.632 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.401 HD22 ' HB3' ' A' ' 55' ' ' ASN . 46.9 tp -56.93 -31.95 65.47 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.907 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.1 -38.47 89.02 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.584 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -58.44 -44.74 89.29 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.706 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.16 -38.73 71.28 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.727 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -65.09 -41.33 95.07 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.541 179.303 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.13 -41.55 96.93 Favored 'General case' 0 C--N 1.334 -0.085 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.17 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.89 -39.75 66.03 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.747 0.308 . . . . 0.0 110.652 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 36.7 mt -76.58 -32.37 21.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -73.97 -38.53 64.15 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.798 0.332 . . . . 0.0 110.711 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.87 -21.11 60.21 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.757 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 43.5 p -55.96 116.23 2.86 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.088 0.471 . . . . 0.0 111.201 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -46.73 78.13 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.622 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 70' ' ' GLY . . . . . 0.525 ' HA2' ' HG3' ' A' ' 7' ' ' LYS . . . -160.23 -60.06 0.01 OUTLIER Glycine 0 C--N 1.333 0.367 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.602 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 71' ' ' LYS . . . . . 0.579 ' HD2' HG22 ' A' ' 6' ' ' VAL . 1.0 OUTLIER -87.22 114.22 23.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.806 0.336 . . . . 0.0 110.925 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.911 HD12 ' CE2' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -101.39 143.0 31.95 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.017 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -125.75 122.57 36.63 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.639 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.443 ' HG3' HG23 ' B' ' 48' ' ' ILE . 2.2 mtp -127.1 132.84 50.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.899 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.498 ' O ' HD12 ' B' ' 46' ' ' LEU . 21.7 t -107.0 116.27 50.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.996 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 24.8 t -105.23 149.13 8.89 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.061 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 77' ' ' GLN . . . . . 0.567 ' N ' HD11 ' B' ' 46' ' ' LEU . 0.9 OUTLIER -93.39 110.87 22.42 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.847 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -141.85 -50.43 0.4 Allowed 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.991 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.29 164.3 16.24 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.302 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -97.73 37.65 1.37 Allowed 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.046 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 7.5 mt -104.38 162.41 13.25 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.94 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.445 -0.788 . . . . 0.0 111.397 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 120.779 0.323 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -97.46 140.19 32.26 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.09 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.763 HG22 ' HB3' ' B' ' 38' ' ' ASN . 27.2 t -116.44 125.64 73.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -129.16 105.42 8.16 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.647 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.466 HD23 ' CG ' ' B' ' 36' ' ' ASP . 60.6 mt -103.33 157.01 17.32 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.05 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 20.7 t -129.04 104.18 10.71 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.397 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.406 ' HE3' ' CE2' ' A' ' 14' ' ' TYR . 6.5 ttmt -93.86 127.13 39.44 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.9 p -88.9 166.08 14.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.678 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.19 94.3 0.07 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.097 -179.624 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 64.38 170.75 0.18 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.06 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.2 m120 57.44 24.34 10.09 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.444 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -175.66 109.25 0.1 Allowed 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.501 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -129.21 154.28 46.93 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.075 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.646 ' CE2' HD12 ' B' ' 72' ' ' LEU . 27.4 m-85 -58.81 -41.81 87.7 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.057 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.54 51.37 43.83 Favored Glycine 0 C--N 1.337 0.589 0 C-N-CA 121.271 -0.49 . . . . 0.0 112.677 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.605 HD23 ' HB3' ' A' ' 14' ' ' TYR . 2.7 pp -121.39 121.61 37.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.924 0.392 . . . . 0.0 111.293 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.462 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -77.98 124.2 27.73 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.263 179.476 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.72 160.52 21.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.984 0.421 . . . . 0.0 111.452 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.675 ' HB3' ' CZ ' ' B' ' 23' ' ' PHE . . . -155.15 179.33 9.25 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.941 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.8 p -129.95 151.95 49.95 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.86 0.362 . . . . 0.0 111.511 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -123.69 177.33 5.75 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.963 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 31.0 mm -134.27 145.14 33.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 120.961 0.41 . . . . 0.0 111.199 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.735 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 17.6 p90 -148.01 174.92 11.43 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.91 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 43' ' ' ASP . 37.6 t -95.26 122.87 47.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.949 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.57 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 42.9 tptt -73.41 -46.3 49.5 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.216 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.531 ' C ' HD13 ' A' ' 27' ' ' ILE . 10.7 pt-20 -173.75 175.96 2.79 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.786 0.327 . . . . 0.0 111.078 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.531 HD13 ' C ' ' A' ' 26' ' ' GLU . 1.7 mm -121.18 144.68 29.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.677 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.9 t -90.7 139.89 30.3 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.943 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -73.88 146.52 44.0 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.612 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 57.96 48.42 13.37 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.016 0.436 . . . . 0.0 110.713 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.2 m -133.64 175.28 9.58 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.207 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.677 HD12 ' HA ' ' B' ' 14' ' ' TYR . 41.7 mt -58.44 -38.45 77.49 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.239 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.603 ' HB2' HD12 ' A' ' 39' ' ' ILE . . . -64.96 -47.69 76.7 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.222 179.722 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.0 76.86 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.222 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.36 -42.91 58.56 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.133 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.89 -37.51 81.84 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.689 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.56 32.46 74.95 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.674 -179.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.732 ' CB ' HG13 ' B' ' 3' ' ' VAL . 17.3 m-80 -114.0 -41.63 3.51 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.554 0.216 . . . . 0.0 111.239 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.763 ' CG1' HG11 ' B' ' 3' ' ' VAL . 15.8 mt -81.57 123.52 37.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.917 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.416 ' CA ' HD11 ' A' ' 27' ' ' ILE . 7.2 tp60 -138.12 149.84 46.29 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.859 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.41 ' HB3' ' HA ' ' A' ' 26' ' ' GLU . 14.2 pt-20 -58.89 131.59 51.44 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.733 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.55 -23.02 36.5 Favored Glycine 0 CA--C 1.521 0.433 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.896 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.554 ' HB3' HG11 ' A' ' 76' ' ' VAL . 3.1 m-20 -56.03 117.02 3.33 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.811 0.305 . . . . 0.0 110.937 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.2 t -81.85 102.2 7.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.96 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.568 ' HA ' HG12 ' A' ' 76' ' ' VAL . 21.3 t -82.35 131.52 33.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.543 -179.554 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.634 HD23 ' HG3' ' A' ' 47' ' ' LYS . 9.2 tt -110.62 -40.09 4.7 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.172 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.634 ' HG3' HD23 ' A' ' 46' ' ' LEU . 43.5 mttt -127.54 145.77 50.74 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.744 0.306 . . . . 0.0 111.653 -179.501 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.9 mt -132.1 123.15 50.28 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.745 179.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 43.81 35.93 1.2 Allowed 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.054 0.542 . . . . 0.0 111.912 -179.362 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 85.03 38.5 9.19 Favored Glycine 0 C--N 1.335 0.498 0 C-N-CA 120.871 -0.68 . . . . 0.0 113.005 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.6 123.65 8.15 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.872 0.336 . . . . 0.0 110.546 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.703 HG12 ' H ' ' A' ' 54' ' ' GLU . 21.7 t -66.97 140.89 18.67 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.625 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -117.03 26.67 9.63 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.214 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.703 ' H ' HG12 ' A' ' 52' ' ' VAL . 0.4 OUTLIER -91.8 149.97 21.32 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.787 0.327 . . . . 0.0 110.546 179.234 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.541 ' O ' HD22 ' B' ' 58' ' ' LEU . 1.5 p-10 50.42 19.61 0.57 Allowed 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.449 -0.796 . . . . 0.0 112.272 -179.289 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.6 tpp -102.86 165.88 10.79 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.85 0.357 . . . . 0.0 110.692 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 57.8 p -73.27 138.28 45.41 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.595 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.604 HD22 ' HA ' ' B' ' 55' ' ' ASN . 25.2 tp -55.89 -36.17 67.33 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.588 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.88 -43.4 94.78 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.73 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.1 -41.77 84.25 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.545 179.438 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.74 -38.4 75.28 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.359 179.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -65.86 -37.92 87.45 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.25 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.64 -41.03 84.52 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.865 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.5 mt -54.4 -37.74 65.39 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.742 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 22.1 mt -75.78 -30.72 21.64 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.962 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -72.03 -55.8 6.76 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 120.758 0.313 . . . . 0.0 110.955 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -61.28 -25.37 67.05 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.582 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.81 113.46 1.33 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.806 0.336 . . . . 0.0 111.186 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.17 121.3 44.95 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.02 -138.63 14.42 Favored Glycine 0 C--N 1.333 0.387 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.872 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.498 ' CE ' HG22 ' B' ' 6' ' ' VAL . 4.3 tttt -70.06 129.35 39.21 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 120.659 0.266 . . . . 0.0 110.873 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.752 HD12 ' CE2' ' B' ' 14' ' ' TYR . 0.6 OUTLIER -105.99 147.91 28.3 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.213 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.631 ' HG3' HG23 ' B' ' 4' ' ' THR . 13.2 mttt -127.09 135.19 50.41 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.705 179.487 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 7.8 mtm -139.45 118.27 12.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.693 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.7 t -98.14 119.26 45.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.958 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.568 HG12 ' HA ' ' A' ' 45' ' ' VAL . 30.2 m -115.08 164.84 11.1 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.71 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -101.63 104.11 14.95 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.094 179.708 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -141.95 -52.73 0.42 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.543 179.487 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -100.84 177.48 4.96 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.445 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -164.59 146.53 8.39 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.488 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.8 tp 62.58 84.27 0.14 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.186 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.761 -0.638 . . . . 0.0 111.081 -179.719 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 19.7 m . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 120.727 0.299 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 25.8 mttp -105.56 124.37 49.45 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.043 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' VAL . . . . . 0.763 HG11 ' CG1' ' A' ' 39' ' ' ILE . 26.6 t -104.03 126.34 58.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.962 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.631 HG23 ' HG3' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -128.93 108.1 10.15 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 120.715 0.293 . . . . 0.0 111.341 -179.632 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.691 HD21 HD11 ' A' ' 39' ' ' ILE . 2.7 mm? -101.17 157.72 16.56 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.027 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' VAL . . . . . 0.498 HG22 ' CE ' ' A' ' 71' ' ' LYS . 6.6 t -120.11 103.2 13.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 CA-C-O 120.715 0.293 . . . . 0.0 111.575 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.492 ' HB2' ' CZ ' ' B' ' 14' ' ' TYR . 2.4 ttmt -86.82 149.61 24.72 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.0 179.52 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 1.3 t 77.44 93.68 0.06 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.307 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -176.16 -72.82 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.544 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 4.7 tttm -107.71 173.34 6.36 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.476 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 28.7 p30 -75.14 57.3 0.84 Allowed 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 120.661 0.267 . . . . 0.0 111.157 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -150.59 130.74 13.55 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.84 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -85.74 -177.05 6.28 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.742 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' TYR . . . . . 0.752 ' CE2' HD12 ' A' ' 72' ' ' LEU . 13.9 m-85 -53.71 -46.1 70.64 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.975 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.55 47.93 88.48 Favored Glycine 0 C--N 1.335 0.493 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.937 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.546 ' O ' HD12 ' B' ' 16' ' ' LEU . 3.6 pp -128.5 124.5 36.23 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.806 0.336 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.57 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -96.04 129.76 43.23 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.682 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -126.76 146.76 50.11 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.959 0.409 . . . . 0.0 111.46 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.735 ' HB3' ' CZ ' ' A' ' 23' ' ' PHE . . . -133.91 -178.71 5.15 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.8 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.482 ' CB ' HD13 ' A' ' 58' ' ' LEU . 93.1 p -134.05 152.74 51.97 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.017 0.437 . . . . 0.0 111.909 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -128.05 179.98 5.29 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.849 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 34.6 mm -130.24 144.33 38.32 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.139 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.675 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 6.8 p90 -149.09 174.09 12.7 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.988 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.425 HG21 HG23 ' B' ' 39' ' ' ILE . 32.7 t -101.32 119.23 49.23 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.08 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.462 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 21.1 tptm -69.13 -37.5 78.35 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.371 179.592 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -175.72 174.23 2.24 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.732 0.301 . . . . 0.0 111.128 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 3.5 mp -138.24 134.05 43.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.726 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 6.9 t -74.22 155.23 38.54 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.302 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.77 152.06 24.87 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.924 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 57.82 31.43 20.5 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.046 -179.669 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.67 175.88 5.34 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.925 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 47.7 mt -57.96 -38.52 76.16 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.586 ' CB ' HD13 ' B' ' 39' ' ' ILE . . . -66.77 -40.04 88.08 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.073 179.36 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.1 -40.53 89.97 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.07 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -73.76 -40.87 63.16 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.888 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ASP . . . . . 0.466 ' CG ' HD23 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -67.07 -34.58 77.97 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.478 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.39 29.8 75.65 Favored Glycine 0 C--N 1.335 0.475 0 C-N-CA 120.94 -0.647 . . . . 0.0 112.756 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.763 ' HB3' HG22 ' A' ' 3' ' ' VAL . 74.4 m-20 -108.71 -32.28 7.4 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 111.533 0.198 . . . . 0.0 111.533 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ILE . . . . . 0.586 HD13 ' CB ' ' B' ' 33' ' ' ALA . 3.3 mp -96.74 105.92 17.75 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-O 120.711 0.291 . . . . 0.0 111.083 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.37 153.96 20.95 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.676 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -58.17 113.46 1.93 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.919 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.37 5.74 45.56 Favored Glycine 0 CA--C 1.525 0.668 0 C-N-CA 120.964 -0.636 . . . . 0.0 113.036 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -61.54 149.43 39.03 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.965 0.382 . . . . 0.0 110.875 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.2 t -110.74 101.7 12.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-O 120.761 0.315 . . . . 0.0 111.137 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 21.6 t -79.13 133.67 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.148 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.409 ' CD2' ' HE2' ' B' ' 47' ' ' LYS . 0.8 OUTLIER -113.65 -41.9 3.53 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.399 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 47' ' ' LYS . . . . . 0.409 ' HE2' ' CD2' ' B' ' 46' ' ' LEU . 8.1 mttm -133.22 152.07 51.94 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.624 0.249 . . . . 0.0 111.635 -179.482 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.825 HD12 HD13 ' B' ' 64' ' ' LEU . 19.8 mt -134.9 119.75 28.58 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.945 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 42.1 44.96 3.31 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.195 0.598 . . . . 0.0 111.652 -179.232 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.44 38.33 33.53 Favored Glycine 0 C--N 1.335 0.499 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.823 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.59 116.26 7.18 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.878 0.339 . . . . 0.0 110.52 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.653 HG12 ' H ' ' B' ' 54' ' ' GLU . 12.1 t -61.72 140.67 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.639 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.27 22.27 13.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.552 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 54' ' ' GLU . . . . . 0.653 ' H ' HG12 ' B' ' 52' ' ' VAL . 0.1 OUTLIER -92.32 144.57 25.26 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-O 120.81 0.338 . . . . 0.0 110.333 179.12 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ASN . . . . . 0.604 ' HA ' HD22 ' A' ' 58' ' ' LEU . 5.4 m120 62.49 14.93 7.41 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.993 -179.637 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 2.4 tpp -100.64 164.75 11.74 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.84 0.352 . . . . 0.0 111.051 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.45 146.03 34.71 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.736 179.697 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.541 HD22 ' O ' ' A' ' 55' ' ' ASN . 17.0 tp -55.8 -31.83 62.99 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.934 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.92 -41.0 97.43 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.743 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -57.08 -43.9 82.62 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.676 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.76 -36.56 69.95 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.735 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -68.61 -35.28 77.11 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.608 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -70.38 -41.13 73.45 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.076 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.825 HD13 HD12 ' B' ' 48' ' ' ILE . 0.9 OUTLIER -54.7 -39.6 68.33 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.759 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 40.2 mt -72.35 -31.14 37.53 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.83 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -75.48 -46.89 29.68 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.682 0.277 . . . . 0.0 110.896 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 -59.55 -23.28 62.75 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.689 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 9.3 t -55.46 107.57 0.34 Allowed 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 120.794 0.331 . . . . 0.0 110.929 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -62.46 -38.19 88.86 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.283 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -160.48 -63.58 0.01 OUTLIER Glycine 0 C--N 1.333 0.389 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.472 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -86.6 123.67 32.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.705 0.288 . . . . 0.0 111.253 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.646 HD12 ' CE2' ' A' ' 14' ' ' TYR . 0.4 OUTLIER -107.95 120.84 43.43 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.794 179.765 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -106.51 131.03 54.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.656 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -143.23 138.62 29.78 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.8 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 21.6 t -107.04 111.22 34.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.725 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 16.0 m -110.79 149.51 13.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.39 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.88 106.29 3.03 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.791 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 2.6 ptt180 -110.61 171.82 7.23 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.23 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -66.9 138.66 57.46 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 67.76 163.48 0.2 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.016 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 58.18 38.25 26.31 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.8 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.061 -0.971 . . . . 0.0 111.361 -179.787 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.851 HG22 HG23 ' B' ' 76' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 120.812 0.339 . . . . 0.0 111.57 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.7 mtmm -120.94 139.03 53.81 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.597 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.714 HG11 ' CG1' ' B' ' 39' ' ' ILE . 32.8 t -113.65 126.46 71.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.949 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.501 HG23 ' HG3' ' B' ' 73' ' ' LYS . 0.2 OUTLIER -128.92 112.73 14.4 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.962 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 70.8 mt -109.64 156.79 19.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.96 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.6 t -125.52 101.16 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.151 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.127 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.476 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 4.7 ttmm -70.66 143.08 51.51 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.26 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.6 p -91.51 -169.75 2.4 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.924 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -60.07 3.67 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.818 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.1 mttp -160.28 170.02 21.96 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.828 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 60.49 26.89 16.52 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.755 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -162.28 74.61 0.42 Allowed 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.038 0.447 . . . . 0.0 110.771 179.636 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -83.66 177.89 8.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.165 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.895 ' HA ' HD12 ' B' ' 32' ' ' LEU . 88.4 m-85 -66.91 -34.34 77.57 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.427 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.29 41.23 92.88 Favored Glycine 0 C--N 1.334 0.469 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.642 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.567 HD12 ' O ' ' A' ' 16' ' ' LEU . 4.2 pp -116.92 136.29 53.06 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.862 0.363 . . . . 0.0 110.702 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.543 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -90.91 116.45 28.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.098 -179.634 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.707 HD11 ' CG2' ' B' ' 22' ' ' ILE . 0.3 OUTLIER -104.89 137.71 42.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.232 -179.712 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.59 ' N ' HD13 ' A' ' 18' ' ' LEU . . . -139.72 169.0 18.53 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 179.721 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.405 ' OG ' ' HA ' ' A' ' 55' ' ' ASN . 91.8 p -125.34 150.38 47.23 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.854 0.359 . . . . 0.0 111.387 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.646 ' O ' HD12 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -115.55 176.04 5.25 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.629 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.826 HG23 HD11 ' B' ' 18' ' ' LEU . 1.2 mp -132.51 132.69 60.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.805 0.336 . . . . 0.0 111.004 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.554 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 13.3 p90 -139.7 179.04 6.81 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.065 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.9 t -103.1 115.0 44.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-O 120.788 0.327 . . . . 0.0 111.305 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.595 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 27.2 tptt -66.11 -39.76 90.21 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.139 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.424 ' HG2' ' HB2' ' B' ' 17' ' ' ARG . 3.4 pt-20 -178.01 172.72 1.59 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.216 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.5 mp -130.45 137.91 55.08 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.916 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.93 152.36 22.49 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.459 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -79.57 158.08 27.22 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.973 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 61.16 29.57 18.88 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.228 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m -116.04 173.72 6.42 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.844 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.9 mt -57.58 -43.56 84.66 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.546 ' HB2' HD12 ' A' ' 39' ' ' ILE . . . -59.74 -38.23 81.16 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.292 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.87 -42.45 94.82 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.688 0.28 . . . . 0.0 110.989 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.71 -37.59 73.57 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.792 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.85 -41.56 71.3 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.37 35.47 91.47 Favored Glycine 0 CA--C 1.52 0.362 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.496 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.539 ' CB ' HG13 ' B' ' 3' ' ' VAL . 2.6 m-80 -110.3 -36.88 5.68 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 -179.668 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.546 HD12 ' HB2' ' A' ' 33' ' ' ALA . 25.1 mt -84.55 136.38 22.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.201 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -129.88 153.92 47.82 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.19 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.81 118.55 9.82 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.45 -19.14 43.17 Favored Glycine 0 CA--C 1.521 0.466 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.799 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -55.32 137.01 48.64 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.787 0.327 . . . . 0.0 111.109 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.4 t -98.29 122.09 49.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.539 HG11 ' HG2' ' A' ' 74' ' ' MET . 21.0 t -96.63 134.88 32.61 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.499 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.1 tp -98.9 -40.66 7.98 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.24 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -134.43 153.4 51.93 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.937 0.399 . . . . 0.0 111.609 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.543 HD12 HG21 ' A' ' 53' ' ' THR . 29.8 mt -141.62 118.11 7.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.448 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 58.73 39.45 24.28 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.95 25.32 71.82 Favored Glycine 0 CA--C 1.523 0.557 0 C-N-CA 120.981 -0.628 . . . . 0.0 113.27 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.61 129.2 21.46 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.998 0.399 . . . . 0.0 110.677 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.495 HG12 ' H ' ' A' ' 54' ' ' GLU . 12.8 t -71.09 137.54 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.616 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.778 ' O ' HD13 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -108.51 32.3 4.95 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.2 179.772 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.495 ' H ' HG12 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -90.57 148.92 22.38 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 120.725 0.298 . . . . 0.0 110.202 179.109 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.524 ' HB2' HD22 ' B' ' 58' ' ' LEU . 0.6 OUTLIER 51.73 18.67 0.78 Allowed 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.198 -179.247 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.4 ttm -102.07 153.31 20.04 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.753 0.311 . . . . 0.0 110.715 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.1 t -61.07 146.07 48.62 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.679 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.62 HD11 ' HA ' ' B' ' 19' ' ' ALA . 33.9 tp -54.7 -33.53 61.09 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.631 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.95 -39.56 83.41 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.554 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.39 -45.94 69.48 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.954 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.91 -40.89 77.15 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.939 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.1 mtpt -64.84 -40.12 94.65 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.557 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.81 -39.85 93.18 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.942 179.529 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.505 HD13 ' HB ' ' A' ' 48' ' ' ILE . 1.9 mt -55.63 -34.76 65.2 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.828 0.347 . . . . 0.0 110.338 179.462 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 21.9 mm -67.92 -34.32 66.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.74 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.26 -40.35 52.08 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.855 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.06 -28.85 66.84 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.547 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.2 t -60.08 103.62 0.24 Allowed 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.931 0.396 . . . . 0.0 111.057 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -31.31 71.23 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.423 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -148.8 -95.98 0.16 Allowed Glycine 0 C--N 1.335 0.503 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.774 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.88 148.67 45.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.901 0.382 . . . . 0.0 111.177 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.715 HD12 ' CZ ' ' B' ' 14' ' ' TYR . 0.5 OUTLIER -127.05 126.58 43.32 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.831 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.58 ' HG2' HG23 ' B' ' 4' ' ' THR . 11.2 mtmt -108.07 106.84 17.24 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.177 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.539 ' HG2' HG11 ' A' ' 45' ' ' VAL . 0.3 OUTLIER -113.04 122.74 48.52 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 179.669 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 37.6 t -98.47 133.29 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.865 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 7.6 m -119.04 166.4 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-O 120.867 0.365 . . . . 0.0 111.665 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -93.02 160.76 14.72 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.992 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 62.72 179.11 0.14 Allowed 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.072 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -148.24 82.6 1.49 Allowed 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.819 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -88.5 120.42 29.86 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.403 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 31.7 mt -148.31 -63.51 0.25 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.187 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.248 0.978 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.748 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 120.91 0.386 . . . . 0.0 111.487 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -125.2 135.1 52.26 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.643 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' VAL . . . . . 0.66 HG12 ' CD2' ' B' ' 5' ' ' LEU . 25.7 t -118.54 127.13 75.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.765 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.58 HG23 ' HG2' ' A' ' 73' ' ' LYS . 0.7 OUTLIER -128.13 108.29 10.52 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.878 0.37 . . . . 0.0 111.366 -179.803 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.66 ' CD2' HG12 ' B' ' 3' ' ' VAL . 3.5 mm? -100.79 160.47 14.33 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.861 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 20.5 t -127.7 99.12 4.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.155 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.483 ' HB2' ' CZ ' ' B' ' 14' ' ' TYR . 11.4 ttmt -90.06 130.68 36.21 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.038 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.451 ' HB2' ' HB2' ' B' ' 11' ' ' ASN . 0.3 OUTLIER -91.1 -171.67 3.06 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.71 179.658 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -81.22 99.29 8.51 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.933 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt 41.86 44.55 2.92 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.028 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ASN . . . . . 0.451 ' HB2' ' HB2' ' B' ' 8' ' ' SER . 1.8 m-80 -112.35 -41.66 3.85 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.336 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -158.17 119.99 3.61 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.612 0.244 . . . . 0.0 110.709 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.56 173.48 11.92 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.913 0.387 . . . . 0.0 110.922 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' TYR . . . . . 0.784 ' HB3' HD23 ' B' ' 16' ' ' LEU . 32.8 m-85 -71.83 -30.97 66.04 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.522 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.56 32.32 64.68 Favored Glycine 0 C--N 1.335 0.476 0 C-N-CA 121.075 -0.583 . . . . 0.0 112.953 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.784 HD23 ' HB3' ' B' ' 14' ' ' TYR . 3.2 pp -108.77 134.3 51.67 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.764 0.316 . . . . 0.0 110.747 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.595 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 3.6 mmt180 -92.19 118.87 31.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.743 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.826 HD11 HG23 ' A' ' 22' ' ' ILE . 0.4 OUTLIER -102.05 126.41 48.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.62 ' HA ' HD11 ' A' ' 58' ' ' LEU . . . -121.54 173.48 7.38 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.991 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 75.1 p -127.89 146.5 50.61 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.148 0.499 . . . . 0.0 111.895 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' HIS . . . . . 0.506 ' O ' HD13 ' B' ' 22' ' ' ILE . 0.1 OUTLIER -116.44 -178.03 3.32 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.899 179.766 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.707 ' CG2' HD11 ' A' ' 18' ' ' LEU . 26.2 mm -132.23 137.43 54.58 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.206 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.526 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 11.0 p90 -149.64 179.76 7.74 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.196 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t -107.1 121.13 59.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.12 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.543 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 17.4 tptt -74.27 -39.5 62.93 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.252 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -174.08 177.37 2.35 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.909 0.385 . . . . 0.0 111.25 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 3.0 mp -131.74 137.52 54.89 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.969 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 25.3 t -78.79 158.53 28.2 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.24 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -85.19 151.61 23.97 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.902 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 58.4 34.91 24.4 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.216 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 24.3 p -114.65 174.04 6.16 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.091 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.895 HD12 ' HA ' ' A' ' 14' ' ' TYR . 4.5 mt -60.7 -42.15 96.61 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.08 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.477 ' CB ' HD12 ' B' ' 39' ' ' ILE . . . -61.02 -45.74 93.58 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.242 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.85 80.13 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.197 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 9.1 mtm180 -78.08 -39.46 41.47 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.03 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.54 -34.59 76.13 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.323 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.59 33.74 88.05 Favored Glycine 0 C--N 1.335 0.49 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.95 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.589 ' HB3' HG22 ' A' ' 3' ' ' VAL . 36.9 m-80 -110.3 -32.27 7.02 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.706 0.253 . . . . 0.0 111.552 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ILE . . . . . 0.714 ' CG1' HG11 ' A' ' 3' ' ' VAL . 22.9 mt -92.97 137.7 21.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-O 120.733 0.301 . . . . 0.0 111.112 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -134.65 143.58 47.36 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.47 123.31 16.39 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.803 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.81 -21.35 36.55 Favored Glycine 0 CA--C 1.522 0.499 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.873 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.41 137.34 48.31 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.761 0.315 . . . . 0.0 111.303 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.2 t -95.53 123.25 47.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' VAL . . . . . 0.431 HG11 ' HG2' ' B' ' 74' ' ' MET . 22.0 t -99.15 128.81 50.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.231 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.467 ' O ' HG13 ' B' ' 52' ' ' VAL . 0.5 OUTLIER -100.15 -34.28 10.11 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.152 179.672 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 47' ' ' LYS . . . . . 0.475 ' HG3' HG22 ' B' ' 52' ' ' VAL . 6.7 mttm -134.64 153.06 52.15 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.787 0.327 . . . . 0.0 111.477 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.774 HD12 HG21 ' B' ' 53' ' ' THR . 21.0 mt -139.83 118.83 12.18 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.513 179.407 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 57.13 36.03 27.03 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.471 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.92 31.49 53.17 Favored Glycine 0 C--N 1.335 0.501 0 C-N-CA 120.916 -0.659 . . . . 0.0 113.121 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.69 123.75 8.78 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.777 0.288 . . . . 0.0 110.52 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.662 HG12 ' H ' ' B' ' 54' ' ' GLU . 17.1 t -66.29 132.02 31.88 Favored 'Isoleucine or valine' 0 C--O 1.231 0.106 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.473 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.774 HG21 HD12 ' B' ' 48' ' ' ILE . 1.0 OUTLIER -106.56 25.42 11.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.452 -179.883 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 54' ' ' GLU . . . . . 0.662 ' H ' HG12 ' B' ' 52' ' ' VAL . 1.1 tt0 -80.04 144.15 33.44 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.006 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ASN . . . . . 0.483 ' O ' HD22 ' A' ' 58' ' ' LEU . 5.2 m120 62.16 15.15 7.2 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.875 -179.591 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 56' ' ' MET . . . . . 0.506 ' HE3' ' HA ' ' B' ' 53' ' ' THR . 1.3 ttm -103.16 160.28 14.79 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.785 0.326 . . . . 0.0 110.881 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.1 m -69.95 146.06 51.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.772 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.524 HD22 ' HB2' ' A' ' 55' ' ' ASN . 35.0 tp -54.88 -32.57 61.03 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.026 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 1.2 m -63.73 -37.97 89.35 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.675 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.21 -48.36 73.97 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.976 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.63 -41.61 77.43 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.62 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 23.1 mttt -62.53 -40.54 97.1 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.486 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.33 -41.89 90.17 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.618 179.488 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.729 HD13 ' HB ' ' B' ' 48' ' ' ILE . 0.6 OUTLIER -52.2 -38.04 56.71 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.698 179.48 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 22.5 mt -74.2 -31.18 28.58 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.705 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -75.76 -42.29 50.81 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.03 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.21 -7.18 59.65 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 94.0 p -55.18 115.94 2.52 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.979 0.419 . . . . 0.0 111.056 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 4.3 mmtm -78.6 74.84 5.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.307 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 82.74 -85.78 1.49 Allowed Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.882 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.36 144.23 32.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.852 0.358 . . . . 0.0 111.333 -179.577 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.408 HD12 ' CZ ' ' A' ' 14' ' ' TYR . 0.4 OUTLIER -122.79 140.42 52.93 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.903 -179.905 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 73' ' ' LYS . . . . . 0.501 ' HG3' HG23 ' A' ' 4' ' ' THR . 9.8 mttp -120.99 131.74 54.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.731 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.431 ' HG2' HG11 ' B' ' 45' ' ' VAL . 2.0 ttm -135.86 124.25 23.38 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.673 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 21.6 t -101.25 118.17 47.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.031 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.851 HG23 HG22 ' A' ' 1' ' ' THR . 14.9 m -111.58 177.12 1.52 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.225 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -128.24 161.25 29.78 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 20.7 mtt85 64.41 -178.23 0.17 Allowed 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.824 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 6.2 t0 68.04 107.27 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.309 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -125.18 107.41 10.72 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.67 -49.05 76.65 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.983 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 . . . . . 0 C--O 1.252 1.191 0 CA-C-O 118.435 -0.793 . . . . 0.0 111.123 -179.958 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 61.7 m . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 120.651 0.262 . . . . 0.0 111.273 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.1 mptt -130.65 129.68 42.96 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.817 HG11 HG13 ' B' ' 39' ' ' ILE . 38.3 t -112.95 131.09 65.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.734 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.5 m -129.1 112.1 13.63 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-O 120.72 0.295 . . . . 0.0 111.125 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.41 ' CD1' HD23 ' A' ' 16' ' ' LEU . 46.4 mt -107.04 160.2 15.73 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.095 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.67 100.91 5.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.894 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 7.5 ttmt -76.2 141.69 41.72 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.065 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 79.7 p -105.68 179.99 4.11 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.162 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.19 -169.24 0.48 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.697 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 70.22 -166.17 0.16 Allowed 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.779 -0.191 . . . . 0.0 110.499 -179.609 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -93.55 46.5 1.2 Allowed 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 120.94 0.4 . . . . 0.0 110.782 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -81.82 156.63 24.79 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.96 150.74 51.3 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.976 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.645 ' CE2' HD12 ' B' ' 72' ' ' LEU . 62.4 m-85 -60.88 -39.73 90.35 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.308 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.74 -25.87 12.35 Favored Glycine 0 C--N 1.335 0.507 0 C-N-CA 120.905 -0.664 . . . . 0.0 113.067 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.48 ' CD1' HD13 ' A' ' 18' ' ' LEU . 2.5 pp -69.06 115.62 8.56 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.976 0.417 . . . . 0.0 111.021 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.493 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.1 OUTLIER -88.18 129.08 35.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.953 179.497 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.48 HD13 ' CD1' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -121.56 156.09 33.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.074 0.464 . . . . 0.0 111.623 -179.689 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.705 ' HB3' ' CZ ' ' B' ' 23' ' ' PHE . . . -151.82 177.39 10.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.13 -179.698 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.439 ' OG ' ' HA ' ' A' ' 55' ' ' ASN . 93.7 p -131.39 149.6 52.48 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 120.839 0.352 . . . . 0.0 111.386 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.402 ' CE1' ' CD ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -120.23 -179.9 4.09 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.789 -179.886 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 28.9 mm -127.67 140.61 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.188 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.468 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 8.1 p90 -146.91 172.86 13.03 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.258 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.557 HG21 HG23 ' A' ' 39' ' ' ILE . 21.5 t -101.14 108.55 23.61 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.86 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.555 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 9.4 tptm -59.79 -38.09 80.93 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.152 179.571 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -177.29 178.78 1.04 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.869 0.366 . . . . 0.0 111.334 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.0 mp -133.01 149.27 31.58 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.051 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.0 m -93.41 155.98 17.04 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.215 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -79.3 150.55 31.47 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.335 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.2 t70 56.39 42.29 27.82 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.908 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 73.6 m -121.24 171.2 8.89 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.079 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.474 HD11 ' HA ' ' B' ' 7' ' ' LYS . 19.9 mt -62.05 -40.18 94.87 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.263 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.1 -44.08 96.68 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.021 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.63 -39.88 91.93 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.103 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.99 -48.28 58.8 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.968 179.712 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.27 -34.02 75.75 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.44 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.2 33.89 88.12 Favored Glycine 0 C--N 1.336 0.562 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.843 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.732 ' CB ' HG13 ' B' ' 3' ' ' VAL . 76.1 m-20 -112.37 -38.47 4.67 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.609 0.242 . . . . 0.0 111.344 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.557 HG23 HG21 ' A' ' 24' ' ' VAL . 4.2 mp -93.09 105.41 16.77 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.805 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.28 150.05 28.54 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.773 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.65 127.61 32.53 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.831 0.348 . . . . 0.0 110.796 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.59 -23.58 31.0 Favored Glycine 0 CA--C 1.521 0.421 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.867 -179.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -56.58 146.23 25.79 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.787 0.327 . . . . 0.0 111.118 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.1 t -110.44 113.61 44.72 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.225 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.3 t -90.33 134.87 27.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.401 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.648 HD23 ' HG3' ' A' ' 47' ' ' LYS . 5.7 tt -106.03 -40.81 5.56 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.142 179.425 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.648 ' HG3' HD23 ' A' ' 46' ' ' LEU . 25.7 mttt -128.4 151.39 49.42 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.9 0.381 . . . . 0.0 111.874 -179.575 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.518 HG23 ' HG2' ' A' ' 74' ' ' MET . 39.7 mt -140.57 119.04 10.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.407 179.322 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.447 ' OD1' HD23 ' A' ' 72' ' ' LEU . 10.3 m-20 57.83 36.72 26.66 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.255 -179.304 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.32 25.65 65.47 Favored Glycine 0 CA--C 1.524 0.626 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.957 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.58 133.78 36.73 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.848 0.324 . . . . 0.0 110.524 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.643 HG12 ' H ' ' A' ' 54' ' ' GLU . 15.2 t -70.69 135.95 27.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.71 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.46 23.88 12.38 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.254 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.643 ' H ' HG12 ' A' ' 52' ' ' VAL . 0.3 OUTLIER -87.37 150.28 23.93 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 120.752 0.311 . . . . 0.0 110.47 179.387 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.825 ' HB2' HD22 ' B' ' 58' ' ' LEU . 0.7 OUTLIER 51.11 17.6 0.48 Allowed 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.64 -179.697 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.7 tpp -99.9 168.37 9.92 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.811 0.339 . . . . 0.0 110.997 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.8 p -71.48 143.32 50.07 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.607 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.545 HD22 ' HA ' ' B' ' 55' ' ' ASN . 41.5 tp -57.71 -32.92 67.86 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.962 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.88 -36.79 75.75 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.954 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -53.63 -45.19 70.07 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.44 -40.59 82.97 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.701 179.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 63' ' ' THR . 0.0 OUTLIER -61.95 -36.89 82.76 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.889 179.378 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.421 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 0.2 OUTLIER -63.84 -40.89 97.67 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.981 179.476 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.8 -36.12 64.61 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.755 0.312 . . . . 0.0 110.366 179.263 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 17.4 mm -67.72 -33.05 59.43 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.946 179.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -76.76 -49.84 14.98 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.156 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -61.73 -25.05 67.2 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.314 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.407 ' OG ' ' HG ' ' A' ' 72' ' ' LEU . 3.5 m -51.66 111.34 0.58 Allowed 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.812 0.339 . . . . 0.0 111.191 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt -78.25 78.39 4.72 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.049 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 79.21 -73.52 2.34 Favored Glycine 0 C--N 1.334 0.454 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.675 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 24.5 tttt -79.65 134.54 36.44 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.855 0.359 . . . . 0.0 111.3 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.469 HD12 ' CZ ' ' B' ' 14' ' ' TYR . 0.5 OUTLIER -117.09 135.4 53.77 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.811 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.3 mttp -117.65 132.33 56.51 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.612 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.518 ' HG2' HG23 ' A' ' 48' ' ' ILE . 8.1 mtm -145.41 133.87 21.94 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.971 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.3 t -107.71 125.44 64.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.779 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.5 t -100.16 140.35 19.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.266 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -111.29 155.49 22.94 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.227 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 -157.95 129.7 6.85 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.085 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 64.9 173.17 0.2 Allowed 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.537 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.01 141.68 34.16 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.64 129.49 50.94 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.299 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 . . . . . 0 C--O 1.252 1.203 0 CA-C-O 118.551 -0.738 . . . . 0.0 110.932 179.884 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 48.2 m . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 120.684 0.278 . . . . 0.0 111.401 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -123.99 139.82 53.57 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' VAL . . . . . 0.732 HG13 ' CB ' ' A' ' 38' ' ' ASN . 21.5 t -126.99 123.76 63.17 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.911 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.01 105.68 8.36 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.846 179.6 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.536 HD11 HD13 ' A' ' 39' ' ' ILE . 73.0 mt -96.89 150.84 20.28 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.69 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' VAL . . . . . 0.458 ' O ' HD22 ' A' ' 32' ' ' LEU . 25.0 t -122.8 101.81 10.4 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.938 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.474 ' HA ' HD11 ' A' ' 32' ' ' LEU . 0.9 OUTLIER -78.95 146.46 33.44 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.309 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.41 145.89 23.11 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.086 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 7.7 mtt85 64.73 174.95 0.2 Allowed 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.49 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.81 29.61 6.11 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.129 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -147.71 25.5 1.05 Allowed 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.352 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -143.1 61.66 1.4 Allowed 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.939 0.4 . . . . 0.0 110.743 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -66.32 163.58 17.79 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' TYR . . . . . 0.771 ' HB3' HD23 ' B' ' 16' ' ' LEU . 50.6 m-85 -60.09 -29.76 68.79 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.375 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.87 49.97 56.43 Favored Glycine 0 C--N 1.338 0.651 0 C-N-CA 121.306 -0.473 . . . . 0.0 112.835 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.771 HD23 ' HB3' ' B' ' 14' ' ' TYR . 2.4 pp -120.39 123.57 43.38 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.921 0.391 . . . . 0.0 111.199 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.555 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -80.75 107.88 13.94 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.539 179.839 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.766 HD23 ' CD1' ' B' ' 16' ' ' LEU . 0.2 OUTLIER -91.25 147.89 22.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.394 -179.627 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.489 ' HA ' HD11 ' A' ' 58' ' ' LEU . . . -154.48 171.25 19.69 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.096 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 84.8 p -135.84 153.96 51.33 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.967 0.413 . . . . 0.0 111.844 -179.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -127.85 178.4 6.19 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 21.5 mm -127.26 141.44 46.31 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.22 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.705 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 8.5 p90 -148.23 175.07 11.37 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 40.0 t -93.75 123.35 45.82 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.709 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.493 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 21.5 tptt -71.72 -43.1 66.46 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.536 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -178.73 176.29 0.98 Allowed 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.748 0.309 . . . . 0.0 111.16 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 4.1 mm -121.38 131.34 73.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.68 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 57.7 m -83.6 137.16 33.95 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.42 146.65 46.82 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.818 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 58.19 41.25 23.96 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.84 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.12 179.66 4.96 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.75 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.611 HD12 ' HA ' ' A' ' 14' ' ' TYR . 51.5 mt -60.33 -36.35 77.76 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.3 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.47 -39.24 91.75 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.244 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.71 -42.82 81.34 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.123 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 27.2 mtt-85 -66.3 -45.76 79.28 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.658 179.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.75 -40.49 84.09 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.144 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.22 37.31 94.68 Favored Glycine 0 C--N 1.335 0.527 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.69 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.515 ' CB ' HG13 ' A' ' 3' ' ' VAL . 13.7 m-80 -113.72 -36.31 4.9 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ILE . . . . . 0.817 HG13 HG11 ' A' ' 3' ' ' VAL . 3.1 mp -87.17 134.58 27.28 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-O 120.71 0.29 . . . . 0.0 111.114 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -123.27 152.82 40.98 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.907 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.93 121.32 17.12 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.665 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.87 -16.76 50.47 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 120.876 -0.678 . . . . 0.0 113.124 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.9 134.03 42.92 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.923 0.361 . . . . 0.0 111.233 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 27.7 t -90.35 108.73 19.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.847 0.356 . . . . 0.0 110.931 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' VAL . . . . . 0.675 HG22 HG12 ' B' ' 76' ' ' VAL . 24.4 t -88.29 127.13 41.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.227 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.5 -43.64 7.88 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.005 179.495 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' LYS . . . . . 0.522 ' CG ' HG22 ' B' ' 52' ' ' VAL . 0.0 OUTLIER -134.92 160.17 39.13 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 120.983 0.42 . . . . 0.0 111.966 -179.859 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.581 HD13 HD13 ' B' ' 64' ' ' LEU . 3.7 mp -132.32 115.86 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.507 179.221 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 44.74 34.51 1.19 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.176 0.59 . . . . 0.0 111.885 -179.172 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.46 40.74 5.31 Favored Glycine 0 C--N 1.335 0.48 0 C-N-CA 120.903 -0.665 . . . . 0.0 113.21 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -156.24 118.07 3.95 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.875 0.337 . . . . 0.0 110.583 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.557 HG12 ' H ' ' B' ' 54' ' ' GLU . 23.6 t -77.23 137.95 21.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.546 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.432 ' OG1' HD11 ' B' ' 48' ' ' ILE . 0.8 OUTLIER -113.47 33.65 5.0 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.582 -179.837 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 54' ' ' GLU . . . . . 0.557 ' H ' HG12 ' B' ' 52' ' ' VAL . 0.1 OUTLIER -88.19 139.56 30.38 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.858 0.361 . . . . 0.0 110.37 179.288 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 55' ' ' ASN . . . . . 0.545 ' HA ' HD22 ' A' ' 58' ' ' LEU . 20.1 m-20 64.82 15.58 9.93 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.081 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -103.9 -178.14 3.57 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.8 0.333 . . . . 0.0 110.965 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.98 145.94 24.0 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.835 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.825 HD22 ' HB2' ' A' ' 55' ' ' ASN . 9.9 tp -56.23 -30.58 62.56 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.854 179.66 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.99 -40.69 90.01 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.823 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.04 -42.49 90.36 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.627 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.83 -39.5 77.78 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.428 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 18.7 mtmt -63.59 -36.62 84.42 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.392 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.96 -39.97 94.29 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.97 179.483 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.581 HD13 HD13 ' B' ' 48' ' ' ILE . 2.1 mt -56.18 -35.22 66.99 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.755 0.312 . . . . 0.0 110.712 179.601 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 17.6 mt -77.99 -29.27 15.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.968 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.57 -47.23 19.96 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.773 0.32 . . . . 0.0 111.002 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -62.12 -21.43 65.01 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.107 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 60.3 p -55.03 105.25 0.15 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 120.963 0.411 . . . . 0.0 110.914 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -33.88 72.42 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.544 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -164.28 -70.67 0.02 OUTLIER Glycine 0 C--N 1.334 0.449 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.354 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 ptpp? -83.62 140.28 32.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.807 0.337 . . . . 0.0 111.033 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.645 HD12 ' CE2' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -118.73 146.2 44.94 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.787 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 7.8 mtmt -126.95 135.57 51.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.657 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -139.24 126.88 21.84 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 22.0 t -109.16 111.06 34.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.675 HG12 HG22 ' B' ' 45' ' ' VAL . 36.0 m -105.1 164.37 4.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.307 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.34 129.76 39.34 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -136.27 81.02 1.86 Allowed 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.951 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.68 118.19 29.47 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -63.18 -40.23 96.93 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.342 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.455 HD12 ' H ' ' B' ' 81' ' ' LEU . 1.8 mp -82.03 -171.41 3.38 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.796 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.087 -0.958 . . . . 0.0 111.414 179.926 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 27.5 m . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 120.705 0.288 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.8 ptmm? -131.05 130.89 43.82 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.395 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.706 HG13 ' HB3' ' B' ' 38' ' ' ASN . 32.0 t -114.6 131.33 67.04 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.874 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.515 ' C ' HD22 ' A' ' 5' ' ' LEU . 3.0 m -129.05 123.61 32.73 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.71 0.29 . . . . 0.0 111.424 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.515 HD22 ' C ' ' A' ' 4' ' ' THR . 4.0 mm? -117.22 160.29 21.3 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.79 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.499 HG22 ' HG2' ' B' ' 71' ' ' LYS . 17.0 t -127.02 98.74 4.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.038 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.513 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 15.4 ttmt -65.61 138.38 57.98 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.082 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.2 m -123.47 -168.85 1.84 Allowed 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.86 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -93.72 37.2 1.07 Allowed 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.382 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.4 tptp -78.12 -67.29 0.75 Allowed 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.74 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -146.53 22.61 1.3 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.331 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 50.98 32.21 7.21 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.785 0.326 . . . . 0.0 111.395 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -147.95 137.22 22.22 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.013 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.874 ' HA ' HD12 ' B' ' 32' ' ' LEU . 83.7 m-85 -75.61 -24.43 56.52 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.553 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.39 30.33 41.4 Favored Glycine 0 C--N 1.336 0.54 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.786 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.494 HD23 ' HB3' ' A' ' 14' ' ' TYR . 2.7 pp -120.37 120.91 37.34 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.834 0.35 . . . . 0.0 110.778 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.441 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -73.41 122.6 22.34 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.773 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.751 HD11 HG23 ' B' ' 22' ' ' ILE . 0.9 OUTLIER -100.88 135.53 42.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.305 -179.603 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.622 ' N ' HD13 ' A' ' 18' ' ' LEU . . . -134.84 170.95 15.09 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.662 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.4 p -134.58 150.55 50.73 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.961 0.41 . . . . 0.0 111.944 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.409 ' O ' HD13 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -117.99 177.61 4.72 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.87 179.85 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.661 ' CG2' HD11 ' B' ' 18' ' ' LEU . 33.4 mm -133.47 137.4 53.07 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 120.687 0.28 . . . . 0.0 111.243 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.47 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 6.1 p90 -149.5 -179.06 6.79 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.315 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 25.3 t -107.54 114.94 47.59 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.911 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.514 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 15.7 tptm -65.36 -40.05 93.11 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.289 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -174.92 176.37 2.18 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.907 0.384 . . . . 0.0 111.089 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.405 ' CG2' ' HB3' ' A' ' 33' ' ' ALA . 2.9 mt -131.13 134.67 61.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.985 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.7 m -75.23 149.11 38.98 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.187 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -79.11 152.51 30.75 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.947 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 59.45 28.19 17.5 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.525 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.29 175.17 5.58 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.785 0.326 . . . . 0.0 110.908 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.442 HD12 ' N ' ' B' ' 14' ' ' TYR . 25.9 mt -58.03 -35.62 71.57 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.319 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.405 ' HB3' ' CG2' ' A' ' 27' ' ' ILE . . . -65.31 -43.12 92.06 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.642 -0.253 . . . . 0.0 111.273 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.88 -39.74 90.36 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.173 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -74.49 -43.49 55.76 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.957 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -64.27 -36.65 84.8 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.387 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.78 45.87 93.27 Favored Glycine 0 C--N 1.335 0.519 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.803 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.66 ' CB ' HG13 ' B' ' 3' ' ' VAL . 10.4 m-80 -125.53 -46.72 1.74 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.457 0.17 . . . . 0.0 111.279 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.691 ' CD1' HG11 ' B' ' 3' ' ' VAL . 30.5 mm -72.69 136.23 26.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-O 120.771 0.32 . . . . 0.0 111.152 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.43 141.44 45.43 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.565 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.07 127.98 33.94 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.992 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.29 -22.3 39.64 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.837 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.8 138.97 55.09 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.822 0.344 . . . . 0.0 111.138 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 22.6 t -94.04 119.51 42.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.236 -179.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.687 ' HA ' HG12 ' A' ' 76' ' ' VAL . 21.3 t -92.04 114.77 29.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.972 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.5 mp -83.48 -46.62 12.26 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.001 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -131.01 157.43 43.02 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.34 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.75 ' HB ' HD13 ' A' ' 64' ' ' LEU . 31.4 mt -139.02 121.51 17.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.593 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 58.34 32.08 21.64 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.245 -179.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.57 34.74 27.6 Favored Glycine 0 C--N 1.337 0.609 0 C-N-CA 120.996 -0.621 . . . . 0.0 113.065 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.02 125.81 9.69 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.861 0.331 . . . . 0.0 110.744 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.535 HG12 ' H ' ' A' ' 54' ' ' GLU . 17.3 t -67.44 137.75 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.645 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.47 ' HB ' HG13 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -119.79 33.08 5.76 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.473 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.535 ' H ' HG12 ' A' ' 52' ' ' VAL . 1.9 tt0 -93.32 142.77 26.95 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.779 0.323 . . . . 0.0 110.428 179.187 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 66.89 9.39 6.79 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.282 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.3 ttm -103.12 175.98 5.3 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.745 0.307 . . . . 0.0 110.601 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.0 p -75.2 139.34 42.57 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.301 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.764 HD22 ' HA ' ' B' ' 55' ' ' ASN . 62.2 tp -54.47 -33.87 60.47 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.915 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.87 -42.76 94.42 Favored 'General case' 0 C--O 1.227 -0.106 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.058 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.77 -48.83 66.54 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.651 0.263 . . . . 0.0 110.719 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.23 -39.22 82.07 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.29 178.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 63' ' ' THR . 0.0 OUTLIER -64.74 -37.4 87.49 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.384 178.896 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.415 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 0.2 OUTLIER -64.65 -40.76 96.01 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.891 179.542 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.75 HD13 ' HB ' ' A' ' 48' ' ' ILE . 3.1 mt -55.1 -34.95 64.11 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.753 0.311 . . . . 0.0 110.354 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 17.0 mm -68.23 -33.48 60.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.648 178.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -76.2 -40.83 51.33 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.802 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -57.9 -31.82 67.13 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.373 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.402 ' CB ' ' HG ' ' A' ' 72' ' ' LEU . 8.0 t -61.18 109.85 1.23 Allowed 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.745 0.307 . . . . 0.0 110.864 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -97.82 29.4 3.42 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.311 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 165.54 -90.38 0.1 Allowed Glycine 0 C--N 1.336 0.582 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.451 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.93 135.04 33.44 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.965 0.412 . . . . 0.0 111.545 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.861 HD12 ' CE2' ' B' ' 14' ' ' TYR . 0.4 OUTLIER -117.69 146.08 43.97 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.623 179.662 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.5 mttp -125.97 133.92 51.67 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.648 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.471 ' HG3' HG23 ' A' ' 48' ' ' ILE . 0.4 OUTLIER -143.68 126.87 16.57 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.77 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 32.5 t -108.18 116.24 51.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.894 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.687 HG12 ' HA ' ' A' ' 45' ' ' VAL . 28.5 m -121.01 167.13 14.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.777 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -125.67 144.65 50.51 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.056 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.8 mtt180 -112.48 53.24 0.74 Allowed 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t0 64.59 167.55 0.17 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.981 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -173.07 152.96 2.42 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.329 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -145.01 -176.96 5.3 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.085 179.675 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.336 -0.84 . . . . 0.0 111.645 179.974 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 120.515 0.198 . . . . 0.0 111.247 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.13 120.33 41.95 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.009 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 3' ' ' VAL . . . . . 0.691 HG11 ' CD1' ' A' ' 39' ' ' ILE . 21.3 t -103.57 130.36 54.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.981 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 1.3 m -128.68 105.83 8.53 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.786 0.327 . . . . 0.0 110.734 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 85.2 mt -98.14 158.76 15.36 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 22.8 t -130.68 101.59 5.8 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 CA-C-O 120.975 0.417 . . . . 0.0 111.224 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.464 ' HB2' ' CE1' ' B' ' 14' ' ' TYR . 0.6 OUTLIER -85.97 127.64 34.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.061 179.822 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 47.5 t -125.34 4.66 7.72 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.727 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 52.72 36.76 21.93 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 120.925 0.393 . . . . 0.0 111.075 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 28.2 tttt -75.26 -35.92 61.31 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.154 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -165.15 -41.9 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.602 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -138.77 134.93 34.12 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.216 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -76.33 -164.05 0.36 Allowed 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.834 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' TYR . . . . . 0.861 ' CE2' HD12 ' A' ' 72' ' ' LEU . 45.2 m-85 -52.87 -43.45 66.12 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.253 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.88 40.45 90.21 Favored Glycine 0 C--N 1.337 0.6 0 C-N-CA 121.223 -0.513 . . . . 0.0 112.969 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.715 HD23 ' HB3' ' B' ' 14' ' ' TYR . 2.7 pp -106.03 120.28 41.37 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.974 0.416 . . . . 0.0 110.951 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.514 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -76.27 111.51 11.78 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.6 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.661 HD11 ' CG2' ' A' ' 22' ' ' ILE . 0.2 OUTLIER -97.04 141.04 30.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.289 -179.456 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.516 ' N ' HD13 ' B' ' 18' ' ' LEU . . . -144.48 166.37 25.33 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.962 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.548 ' HB3' HD13 ' A' ' 58' ' ' LEU . 79.4 p -130.84 149.79 52.31 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.875 0.369 . . . . 0.0 111.596 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -115.12 179.95 3.81 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.772 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.751 HG23 HD11 ' A' ' 18' ' ' LEU . 31.1 mm -133.58 139.92 47.82 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 CA-C-O 120.725 0.298 . . . . 0.0 111.375 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.419 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 10.2 p90 -149.62 176.75 10.37 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.092 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.9 t -100.75 113.46 36.72 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.026 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.511 ' HB2' ' HB2' ' A' ' 19' ' ' ALA . 9.7 tptp -65.64 -34.71 78.86 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.425 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -177.82 173.12 1.61 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.79 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 3.1 mp -137.5 136.35 46.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.917 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 1.5 m -79.8 155.81 27.7 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.196 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -79.15 158.9 27.64 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.867 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 58.78 30.62 20.27 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.243 -179.577 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 3.2 m -109.92 172.02 7.11 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.975 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.874 HD12 ' HA ' ' A' ' 14' ' ' TYR . 4.4 mt -59.18 -42.45 90.88 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.848 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.558 ' HB1' ' HB ' ' B' ' 39' ' ' ILE . . . -65.39 -43.71 89.78 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.156 179.443 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.4 -37.18 77.35 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.137 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -79.55 -39.61 31.45 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.017 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.0 -35.39 80.56 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.409 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.83 37.01 91.98 Favored Glycine 0 C--N 1.336 0.532 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.457 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.706 ' HB3' HG13 ' A' ' 3' ' ' VAL . 2.7 m-80 -122.1 -45.84 2.22 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.454 0.169 . . . . 0.0 111.3 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ILE . . . . . 0.558 ' HB ' ' HB1' ' B' ' 33' ' ' ALA . 31.6 mt -83.33 114.39 23.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -119.55 159.1 24.98 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.975 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -62.81 123.45 18.48 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.712 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.01 -18.1 50.48 Favored Glycine 0 CA--C 1.523 0.533 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.845 -179.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -55.09 117.98 3.94 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.778 0.323 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.2 t -85.7 113.92 24.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.0 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' VAL . . . . . 0.449 ' HA ' HG12 ' B' ' 76' ' ' VAL . 18.6 t -88.7 121.73 39.25 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -89.49 -47.14 8.19 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.708 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' LYS . . . . . 0.432 ' HG3' ' HA ' ' B' ' 52' ' ' VAL . 0.0 OUTLIER -135.5 155.88 49.8 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.164 -179.823 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 29.8 mt -132.82 123.18 48.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.927 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 43.79 40.87 3.36 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.065 0.546 . . . . 0.0 111.683 -179.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.57 35.3 36.98 Favored Glycine 0 CA--C 1.521 0.455 0 C-N-CA 120.907 -0.664 . . . . 0.0 113.05 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.37 123.25 12.71 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.763 0.282 . . . . 0.0 110.319 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.652 HG12 ' H ' ' B' ' 54' ' ' GLU . 10.2 t -67.1 132.98 32.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.528 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.43 18.83 21.06 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.531 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 54' ' ' GLU . . . . . 0.652 ' H ' HG12 ' B' ' 52' ' ' VAL . 0.0 OUTLIER -80.98 150.76 28.79 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.345 179.158 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 55' ' ' ASN . . . . . 0.764 ' HA ' HD22 ' A' ' 58' ' ' LEU . 0.3 OUTLIER 55.63 13.69 1.06 Allowed 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.477 -179.307 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 1.7 ttm -95.18 139.2 31.84 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.609 0.242 . . . . 0.0 110.64 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 2.9 m -60.56 144.72 50.94 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.712 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 58.1 tp -53.84 -32.92 54.6 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.851 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.51 -41.94 65.36 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.518 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -60.09 -40.11 88.46 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.534 179.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.73 -37.9 74.38 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 5.9 mmmt -60.85 -34.08 74.04 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.649 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.41 -40.04 95.01 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.087 179.564 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 2.9 mt -55.7 -34.59 65.21 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.828 0.347 . . . . 0.0 110.52 179.261 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' ILE . . . . . 0.625 ' HA ' HD11 ' B' ' 72' ' ' LEU . 37.5 mt -72.1 -32.24 42.78 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.905 179.186 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -76.98 -48.42 18.07 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.785 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -16.68 61.01 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.76 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 31.3 t -50.36 114.6 1.16 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.737 0.303 . . . . 0.0 111.108 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.56 75.24 3.27 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.602 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 85.61 -90.89 1.67 Allowed Glycine 0 C--N 1.333 0.405 0 C-N-CA 121.001 -0.618 . . . . 0.0 112.771 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' LYS . . . . . 0.499 ' HG2' HG22 ' A' ' 6' ' ' VAL . 0.9 OUTLIER -77.94 147.68 34.86 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.747 0.308 . . . . 0.0 111.278 -179.836 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.735 HD12 ' CE1' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -124.78 129.53 50.63 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.963 179.848 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -106.47 132.68 52.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.435 179.424 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 4.5 mtp -133.25 119.09 19.36 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.822 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 25.3 t -99.02 117.57 44.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.979 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.449 HG12 ' HA ' ' B' ' 45' ' ' VAL . 27.8 m -117.19 167.75 9.84 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.402 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -96.37 119.58 35.11 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.959 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -158.64 -73.06 0.08 Allowed 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.88 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -137.42 81.63 1.88 Allowed 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.23 0.538 . . . . 0.0 110.847 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -85.31 140.82 30.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.974 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 8.6 tp -151.74 38.12 0.6 Allowed 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.075 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.252 1.192 0 CA-C-O 118.813 -0.613 . . . . 0.0 111.632 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.461 ' HB ' HG23 ' B' ' 76' ' ' VAL . 1.2 p . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 120.704 0.288 . . . . 0.0 111.541 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.85 131.34 46.78 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.671 179.693 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.884 HG11 HD11 ' B' ' 39' ' ' ILE . 22.8 t -110.52 123.1 66.12 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.031 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.42 HG21 ' HE3' ' B' ' 71' ' ' LYS . 8.9 m -128.93 107.2 9.44 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.856 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.6 mt -104.94 138.57 40.96 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.409 ' O ' HD22 ' B' ' 32' ' ' LEU . 22.5 t -110.29 101.78 13.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-O 120.863 0.363 . . . . 0.0 111.189 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.461 ' HB2' ' CE1' ' A' ' 14' ' ' TYR . 1.8 ttmt -81.04 113.51 19.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.713 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.19 160.0 28.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.878 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 48.9 ttm-85 -55.44 -28.28 53.34 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.467 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.23 162.52 1.41 Allowed 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 120.663 0.268 . . . . 0.0 111.113 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -72.87 69.61 0.95 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.634 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -145.19 99.33 3.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.469 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -86.83 174.22 8.92 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.115 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.851 ' CE2' HD12 ' B' ' 72' ' ' LEU . 21.7 m-85 -64.29 -31.82 73.18 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.038 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.31 25.84 41.95 Favored Glycine 0 C--N 1.34 0.759 0 C-N-CA 121.274 -0.489 . . . . 0.0 113.375 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.785 HD23 ' HB3' ' A' ' 14' ' ' TYR . 2.7 pp -94.29 118.41 31.55 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.911 0.386 . . . . 0.0 110.802 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.499 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 8.1 mmt85 -73.48 116.75 14.42 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.589 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.766 HD11 ' CG2' ' B' ' 22' ' ' ILE . 0.5 OUTLIER -103.56 132.52 49.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.53 -179.212 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.606 ' N ' HD13 ' A' ' 18' ' ' LEU . . . -136.62 175.02 9.99 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.843 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.6 p -132.2 143.99 50.34 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.843 0.354 . . . . 0.0 111.75 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.423 ' O ' HD13 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -116.3 -179.72 3.75 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.927 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.6 ' CG2' HD11 ' B' ' 18' ' ' LEU . 23.3 mm -129.65 140.69 48.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.179 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.545 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 3.6 p90 -148.56 175.74 10.91 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.206 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.6 t -108.45 115.57 49.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.124 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.515 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 9.3 tptp -59.89 -45.25 93.12 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -175.33 174.8 2.3 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.014 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.468 HD11 ' CA ' ' A' ' 40' ' ' GLN . 2.0 mp -124.71 134.27 67.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.4 t -74.34 150.93 39.88 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.978 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -74.35 148.81 40.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.826 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 58.71 37.5 25.1 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.074 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.1 p -112.37 171.6 7.42 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.84 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.417 ' HB2' ' HA ' ' B' ' 14' ' ' TYR . 28.1 mt -60.59 -41.14 94.11 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.95 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.536 ' CB ' HD12 ' A' ' 39' ' ' ILE . . . -62.28 -43.58 98.51 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.039 179.522 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.09 -36.57 82.08 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.11 179.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -79.2 -42.19 26.61 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.626 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.29 -35.19 75.0 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.221 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.12 36.87 92.48 Favored Glycine 0 C--N 1.336 0.531 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.667 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.555 ' HB3' HG22 ' B' ' 3' ' ' VAL . 30.3 m-80 -118.45 -43.54 2.7 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.717 0.258 . . . . 0.0 111.35 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.868 HD11 HD11 ' B' ' 5' ' ' LEU . 12.6 mt -84.48 137.54 20.7 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.039 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.468 ' CA ' HD11 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -138.62 146.59 41.91 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.717 179.673 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.99 122.35 12.11 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.836 0.35 . . . . 0.0 110.731 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.23 -16.46 49.4 Favored Glycine 0 CA--C 1.523 0.545 0 C-N-CA 120.8 -0.714 . . . . 0.0 113.022 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.39 144.5 20.59 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.9 0.35 . . . . 0.0 111.135 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.5 t -109.86 99.28 8.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.183 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.0 t -77.79 126.54 38.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.331 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.423 HD12 ' HD2' ' A' ' 47' ' ' LYS . 0.2 OUTLIER -91.22 -45.18 8.78 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.114 179.809 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.671 ' HG3' HG22 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -129.51 155.26 46.05 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.995 0.426 . . . . 0.0 111.632 -179.604 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.606 HD12 HG21 ' A' ' 53' ' ' THR . 31.3 mt -137.49 121.84 23.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.389 179.514 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 57.28 33.61 23.55 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.208 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.46 33.55 34.66 Favored Glycine 0 CA--C 1.522 0.518 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.935 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.42 129.71 11.27 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.712 0.256 . . . . 0.0 110.773 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.694 HG12 ' H ' ' A' ' 54' ' ' GLU . 27.8 t -72.88 135.12 28.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.583 179.633 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.606 HG21 HD12 ' A' ' 48' ' ' ILE . 0.9 OUTLIER -108.35 28.49 8.27 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.366 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.694 ' H ' HG12 ' A' ' 52' ' ' VAL . 5.9 tt0 -84.88 143.85 28.77 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.966 179.041 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.611 ' HA ' HD22 ' B' ' 58' ' ' LEU . 3.1 m120 63.92 13.93 7.99 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.835 -179.65 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -98.59 -173.21 2.48 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 120.781 0.324 . . . . 0.0 110.951 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.95 151.34 21.0 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.709 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.486 HD13 ' HA ' ' B' ' 55' ' ' ASN . 12.9 tp -56.65 -29.79 62.66 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.711 179.455 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.88 -37.01 83.61 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.737 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -56.74 -45.21 82.13 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.832 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.53 -39.71 73.84 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.713 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -65.8 -35.76 81.6 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.905 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.21 -46.82 82.21 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.912 179.75 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.413 HD13 ' HB ' ' A' ' 48' ' ' ILE . 0.7 OUTLIER -56.24 -37.13 69.33 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.827 0.346 . . . . 0.0 110.588 179.66 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.3 mt -76.86 -30.07 18.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.73 179.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.53 -52.03 24.58 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-O 120.735 0.303 . . . . 0.0 110.972 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -60.38 -33.14 72.04 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.19 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.415 ' CB ' ' HG ' ' A' ' 72' ' ' LEU . 3.1 m -58.54 115.95 3.35 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.729 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.83 68.1 0.87 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.244 -179.377 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.458 ' HA2' ' HG3' ' B' ' 7' ' ' LYS . . . 135.68 -95.94 0.26 Allowed Glycine 0 C--N 1.333 0.379 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.837 179.45 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.418 ' HE3' HG21 ' B' ' 4' ' ' THR . 0.6 OUTLIER -90.0 115.58 27.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 0.0 111.353 -179.529 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.762 HD12 ' CE2' ' B' ' 14' ' ' TYR . 0.6 OUTLIER -99.66 149.18 23.56 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.751 179.578 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.408 ' HG3' HG23 ' B' ' 4' ' ' THR . 1.1 tttt -126.05 135.05 51.31 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.902 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.429 ' HG2' HG23 ' A' ' 48' ' ' ILE . 26.6 mtm -147.65 125.22 11.73 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.707 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.6 t -98.23 127.51 50.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.714 0.292 . . . . 0.0 111.174 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.423 HG12 ' N ' ' A' ' 77' ' ' GLN . 3.2 t -111.23 164.52 7.1 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.423 ' N ' HG12 ' A' ' 76' ' ' VAL . 35.6 mt-30 -93.18 119.83 32.81 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.706 0.289 . . . . 0.0 111.185 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -103.99 171.74 7.18 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.049 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -55.92 160.21 2.84 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.569 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.98 177.6 6.21 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.277 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -104.08 -62.02 1.37 Allowed 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.744 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.243 -0.884 . . . . 0.0 111.369 -179.95 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' THR . . . . . 0.402 ' HB ' ' HB ' ' A' ' 76' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 120.653 0.263 . . . . 0.0 111.027 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -89.75 120.04 30.67 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 3' ' ' VAL . . . . . 0.555 HG22 ' HB3' ' A' ' 38' ' ' ASN . 59.5 t -103.55 121.04 54.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.038 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.418 HG21 ' HE3' ' A' ' 71' ' ' LYS . 0.3 OUTLIER -128.27 105.75 8.56 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.068 179.834 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.868 HD11 HD11 ' A' ' 39' ' ' ILE . 58.0 mt -94.58 159.19 15.2 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.488 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 20.3 t -137.95 101.53 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-O 120.923 0.392 . . . . 0.0 111.305 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.458 ' HG3' ' HA2' ' A' ' 70' ' ' GLY . 0.8 OUTLIER -88.53 136.87 32.78 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.797 179.685 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -171.26 160.15 6.1 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.088 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.76 -171.91 0.16 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.363 179.533 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.7 142.56 57.15 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.745 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 62.44 52.06 3.12 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.051 0.453 . . . . 0.0 110.607 -179.407 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' GLU . . . . . 0.455 ' HB2' ' HB2' ' B' ' 7' ' ' LYS . 18.7 pt-20 -91.2 42.6 1.11 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.212 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -97.52 126.45 42.8 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.55 179.553 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' TYR . . . . . 0.762 ' CE2' HD12 ' A' ' 72' ' ' LEU . 71.6 m-85 -58.82 -32.46 69.4 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.935 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.08 46.38 93.84 Favored Glycine 0 C--N 1.337 0.619 0 C-N-CA 121.313 -0.47 . . . . 0.0 113.111 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.571 HD23 ' HB3' ' B' ' 14' ' ' TYR . 3.2 pp -121.3 127.92 51.81 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.834 0.35 . . . . 0.0 111.076 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.515 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 4.1 mmt180 -85.09 112.79 20.98 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.59 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.697 HD13 ' N ' ' B' ' 19' ' ' ALA . 1.0 OUTLIER -100.05 135.74 41.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.434 -179.556 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.697 ' N ' HD13 ' B' ' 18' ' ' LEU . . . -141.24 167.59 21.82 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.573 179.441 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.403 ' OG ' ' HA ' ' B' ' 55' ' ' ASN . 58.4 p -121.59 151.05 40.81 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.018 0.437 . . . . 0.0 111.702 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -122.4 177.94 5.17 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.795 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.766 ' CG2' HD11 ' A' ' 18' ' ' LEU . 32.6 mm -130.65 143.09 41.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.082 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 7.8 p90 -149.45 178.62 8.64 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.254 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.501 HG21 HG23 ' B' ' 39' ' ' ILE . 39.9 t -105.09 110.86 32.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.012 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.499 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 4.6 tttp -62.18 -38.44 89.08 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -171.18 172.59 5.27 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.848 0.356 . . . . 0.0 111.052 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ILE . . . . . 0.527 HD11 ' C ' ' B' ' 40' ' ' GLN . 2.9 mp -130.12 133.61 64.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 2.2 m -70.16 154.56 41.77 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.237 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -81.82 143.12 31.97 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.95 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 57.44 31.76 20.73 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.154 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.58 174.48 5.88 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.953 0.406 . . . . 0.0 110.817 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.409 HD22 ' O ' ' A' ' 6' ' ' VAL . 21.8 mt -57.31 -37.11 71.97 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.37 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.567 ' HB1' ' HB ' ' B' ' 39' ' ' ILE . . . -66.66 -40.44 88.62 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.682 -0.236 . . . . 0.0 111.011 179.529 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.14 -45.14 86.22 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.0 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -64.34 -37.64 88.23 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.738 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.15 -35.95 66.56 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.132 179.651 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.25 29.57 71.95 Favored Glycine 0 C--N 1.334 0.454 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.543 -179.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.633 ' HB3' HG22 ' A' ' 3' ' ' VAL . 2.9 m-80 -107.99 -31.74 7.85 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 111.591 0.219 . . . . 0.0 111.591 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ILE . . . . . 0.884 HD11 HG11 ' A' ' 3' ' ' VAL . 29.3 mm -89.46 129.46 40.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-O 120.695 0.283 . . . . 0.0 111.254 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.527 ' C ' HD11 ' B' ' 27' ' ' ILE . 6.2 tt0 -129.65 153.68 47.87 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -61.06 112.87 2.26 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.738 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.56 -13.77 56.6 Favored Glycine 0 CA--C 1.523 0.558 0 C-N-CA 120.865 -0.683 . . . . 0.0 113.036 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.64 127.63 28.91 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.904 0.352 . . . . 0.0 111.094 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 29.0 t -86.63 133.89 28.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.563 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 23.8 t -108.47 118.89 57.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.843 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.15 -46.3 8.92 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.178 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 11.1 mtmt -124.93 153.75 42.21 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.84 0.352 . . . . 0.0 111.341 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.66 ' HB ' HD13 ' B' ' 64' ' ' LEU . 25.6 mt -142.46 124.4 12.9 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.484 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' ASN . . . . . 0.525 ' OD1' HG22 ' B' ' 48' ' ' ILE . 32.2 m120 57.18 32.3 21.49 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.371 -179.453 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.28 26.09 62.37 Favored Glycine 0 CA--C 1.522 0.486 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.741 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 2.3 m -139.5 138.44 36.36 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.688 0.28 . . . . 0.0 110.74 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.657 HG12 ' H ' ' B' ' 54' ' ' GLU . 23.2 t -68.07 140.95 18.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.482 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.9 27.38 8.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.253 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 54' ' ' GLU . . . . . 0.657 ' H ' HG12 ' B' ' 52' ' ' VAL . 0.1 OUTLIER -90.49 150.47 21.78 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 120.731 0.3 . . . . 0.0 110.418 179.108 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 55' ' ' ASN . . . . . 0.486 ' HA ' HD13 ' A' ' 58' ' ' LEU . 0.6 OUTLIER 52.0 17.35 0.65 Allowed 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.39 -179.391 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -100.67 164.18 11.99 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.744 0.307 . . . . 0.0 110.745 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 5.8 t -72.37 143.14 48.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.696 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.611 HD22 ' HA ' ' A' ' 55' ' ' ASN . 55.0 tp -56.3 -33.34 65.44 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.708 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.51 -40.38 92.95 Favored 'General case' 0 CA--C 1.527 0.089 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.471 179.462 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.76 -38.53 67.31 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.48 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.51 -39.75 94.35 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.9 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.2 -36.39 83.48 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.242 179.391 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.1 -40.91 97.46 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.924 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.66 HD13 ' HB ' ' B' ' 48' ' ' ILE . 11.9 mt -56.79 -34.73 67.94 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.794 0.33 . . . . 0.0 110.266 179.386 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 38.6 mt -70.41 -30.5 43.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.593 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -74.83 -38.25 62.08 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 120.809 0.337 . . . . 0.0 110.583 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -27.93 68.87 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.577 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 26.5 p -60.43 116.58 4.41 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.993 0.425 . . . . 0.0 111.064 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 3.0 mtmm -100.31 35.63 2.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.006 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 137.86 -75.34 0.38 Allowed Glycine 0 C--N 1.333 0.383 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.48 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' LYS . . . . . 0.42 ' HE3' HG21 ' A' ' 4' ' ' THR . 7.7 tttp -83.22 123.26 29.4 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.883 0.373 . . . . 0.0 111.195 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.851 HD12 ' CE2' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -117.02 132.06 56.79 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.623 179.662 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 2.5 mttp -112.22 136.3 51.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.702 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.581 ' HG2' HG23 ' B' ' 48' ' ' ILE . 19.8 mtm -144.95 121.04 10.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.549 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 19.8 t -97.75 124.04 50.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.265 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.461 HG23 ' HB ' ' A' ' 1' ' ' THR . 31.0 m -113.08 165.07 8.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.34 -179.546 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -106.91 152.48 23.87 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.374 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 26.0 mtp180 -71.43 173.44 7.89 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.323 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -105.5 81.27 1.67 Allowed 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.896 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -120.05 151.28 39.24 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 2.0 mt -72.98 172.4 11.04 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.263 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 . . . . . 0 C--O 1.252 1.185 0 CA-C-O 118.36 -0.828 . . . . 0.0 111.084 179.876 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.493 ' HA ' ' HB ' ' B' ' 76' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 111.275 0.102 . . . . 0.0 111.275 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -75.63 124.35 27.08 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.8 0.333 . . . . 0.0 110.83 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.799 HG13 ' HB2' ' B' ' 38' ' ' ASN . 16.0 t -120.58 129.66 75.36 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.123 -179.551 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.0 m -127.71 119.27 25.44 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.793 0.33 . . . . 0.0 111.058 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.519 HD22 ' N ' ' A' ' 5' ' ' LEU . 2.8 mm? -115.06 158.72 21.74 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.0 t -132.08 101.55 4.95 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.054 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.425 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 8.4 ttmt -79.79 142.29 35.48 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.15 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.9 t -78.57 178.17 8.0 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.06 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -78.85 -67.0 0.79 Allowed 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.804 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.88 -32.54 73.1 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.396 179.649 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -98.34 122.34 41.39 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.713 0.292 . . . . 0.0 110.692 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -126.99 65.92 1.28 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.968 0.413 . . . . 0.0 111.168 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -140.87 106.53 5.1 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.271 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.592 ' HA ' HD12 ' B' ' 32' ' ' LEU . 74.3 m-85 -75.59 -25.82 57.35 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.299 179.55 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.8 38.74 89.74 Favored Glycine 0 C--N 1.337 0.633 0 C-N-CA 121.147 -0.549 . . . . 0.0 112.985 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.581 HD12 ' O ' ' A' ' 16' ' ' LEU . 3.3 pp -128.52 135.61 49.65 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.838 0.352 . . . . 0.0 110.985 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.618 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.6 OUTLIER -93.45 122.95 36.41 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.695 179.765 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.606 HD11 ' CG2' ' B' ' 22' ' ' ILE . 0.2 OUTLIER -101.57 140.97 35.14 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.49 -179.595 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.474 ' HB3' ' CZ ' ' B' ' 23' ' ' PHE . . . -147.33 165.49 30.0 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.855 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.423 ' OG ' ' HA ' ' A' ' 55' ' ' ASN . 81.6 p -131.73 151.8 51.38 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.978 0.418 . . . . 0.0 111.666 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.402 ' HD2' ' CE1' ' B' ' 23' ' ' PHE . 0.1 OUTLIER -121.19 179.14 4.49 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.863 179.844 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.742 ' CG2' HD11 ' B' ' 18' ' ' LEU . 35.0 mm -130.54 142.15 44.44 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.998 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.539 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 6.4 p90 -149.68 176.61 10.52 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.199 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.448 HG21 HG23 ' A' ' 39' ' ' ILE . 24.9 t -103.66 111.17 32.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.784 179.587 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.47 ' HB3' ' HG2' ' B' ' 17' ' ' ARG . 6.1 tptt -60.39 -37.25 80.18 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.379 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.428 ' HG2' ' CB ' ' B' ' 17' ' ' ARG . 1.1 pt-20 -179.55 171.56 1.22 Allowed 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.738 0.304 . . . . 0.0 111.085 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.42 ' CG2' ' HB3' ' A' ' 33' ' ' ALA . 3.3 mp -126.07 136.85 59.59 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.978 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.4 m -75.64 156.27 35.03 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.22 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -80.78 149.74 29.5 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.954 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 58.18 33.87 23.58 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.139 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.9 p -108.24 174.57 5.82 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.119 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.489 HD11 ' HA ' ' B' ' 7' ' ' LYS . 8.8 mt -61.57 -41.41 97.35 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.934 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.422 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -63.7 -41.06 98.17 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.887 179.394 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.88 -37.51 82.41 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.952 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.69 -42.35 41.99 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.127 179.62 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.96 -36.96 85.68 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.237 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.2 33.01 77.21 Favored Glycine 0 C--N 1.336 0.552 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.747 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.558 ' CB ' HG13 ' B' ' 3' ' ' VAL . 6.1 m-80 -112.67 -39.17 4.39 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 120.442 0.163 . . . . 0.0 111.325 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.807 HD11 HG11 ' B' ' 3' ' ' VAL . 19.4 mm -85.3 126.35 40.4 Favored 'Isoleucine or valine' 0 C--O 1.232 0.145 0 CA-C-O 120.697 0.284 . . . . 0.0 110.935 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -129.44 153.94 47.45 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.922 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -58.73 124.99 21.6 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.958 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.59 -9.77 73.47 Favored Glycine 0 CA--C 1.523 0.593 0 C-N-CA 120.869 -0.681 . . . . 0.0 113.324 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -56.94 121.15 9.24 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 117.198 0.499 . . . . 0.0 110.865 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.7 t -83.5 120.83 35.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.944 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.651 HG22 HG12 ' A' ' 76' ' ' VAL . 23.5 t -91.35 134.06 31.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.263 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -106.48 -39.48 5.86 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.135 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -138.41 155.99 47.99 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.93 0.395 . . . . 0.0 111.455 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.673 ' HB ' HD13 ' A' ' 64' ' ' LEU . 23.9 mt -142.57 123.97 12.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.517 179.601 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 57.81 33.37 23.13 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.202 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.2 32.67 51.58 Favored Glycine 0 C--N 1.337 0.614 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.735 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.3 m -145.27 143.56 30.29 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.698 0.249 . . . . 0.0 110.904 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.494 HG12 ' H ' ' A' ' 54' ' ' GLU . 16.7 t -77.11 139.42 18.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.64 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.495 HG21 HD12 ' A' ' 48' ' ' ILE . 0.7 OUTLIER -122.66 35.85 4.78 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.433 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.494 ' H ' HG12 ' A' ' 52' ' ' VAL . 0.2 OUTLIER -93.49 142.75 26.98 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.753 0.311 . . . . 0.0 110.236 179.237 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.568 ' HB3' HD22 ' B' ' 58' ' ' LEU . 8.4 m-20 62.77 14.05 6.98 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.738 -0.664 . . . . 0.0 112.063 -179.516 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.1 tpp -96.24 161.23 14.04 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.735 0.302 . . . . 0.0 110.841 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.49 145.66 49.04 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.635 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.64 HD11 ' HA ' ' B' ' 19' ' ' ALA . 13.8 tp -54.98 -32.63 61.82 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.979 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.3 -38.47 87.82 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.673 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -57.29 -46.0 83.59 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.744 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.76 -37.17 73.18 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.005 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.9 mmtt -65.95 -37.44 86.03 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.653 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.13 -44.37 92.04 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.188 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.673 HD13 ' HB ' ' A' ' 48' ' ' ILE . 1.8 mt -56.49 -36.77 69.5 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.766 0.317 . . . . 0.0 110.418 179.559 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 33.3 mt -73.56 -30.64 30.19 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.932 179.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -76.78 -48.54 18.31 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.019 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.59 -28.63 65.75 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.357 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.4 m -58.17 104.5 0.21 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.857 0.36 . . . . 0.0 111.186 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.3 mttm -66.44 -35.55 80.58 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.401 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.503 ' O ' ' HG2' ' B' ' 7' ' ' LYS . . . -152.85 -95.86 0.12 Allowed Glycine 0 C--N 1.337 0.6 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.893 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.618 ' HG2' HG22 ' B' ' 6' ' ' VAL . 12.9 mttt -60.37 123.63 17.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.753 0.311 . . . . 0.0 111.336 -179.551 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.853 HD12 ' CZ ' ' B' ' 14' ' ' TYR . 0.6 OUTLIER -109.63 148.62 31.0 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.955 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -125.51 129.57 50.02 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.735 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.443 ' HE3' HD12 ' A' ' 39' ' ' ILE . 0.6 OUTLIER -139.52 126.49 20.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.677 179.881 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 24.5 t -100.01 110.96 28.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.774 0.321 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.651 HG12 HG22 ' A' ' 45' ' ' VAL . 28.2 m -121.5 173.79 6.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.474 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -120.73 128.28 52.79 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.605 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.46 89.91 0.15 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.027 0.441 . . . . 0.0 110.55 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.28 105.44 14.85 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.041 -179.525 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.97 117.14 29.32 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.678 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.4 mt -101.71 123.0 44.97 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.875 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.837 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 120.682 0.277 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.79 125.81 52.35 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.97 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 3' ' ' VAL . . . . . 0.807 HG11 HD11 ' A' ' 39' ' ' ILE . 17.5 t -106.59 127.87 61.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.804 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 18.9 m -128.34 116.69 20.19 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.874 0.369 . . . . 0.0 111.13 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.512 HD22 ' N ' ' B' ' 5' ' ' LEU . 3.0 mm? -110.52 160.24 16.81 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.455 179.679 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' VAL . . . . . 0.618 HG22 ' HG2' ' A' ' 71' ' ' LYS . 21.8 t -136.74 100.01 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.225 0 CA-C-O 120.742 0.306 . . . . 0.0 111.31 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.503 ' HG2' ' O ' ' A' ' 70' ' ' GLY . 10.3 ptmm? -73.27 96.23 2.26 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.178 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 10.8 p 179.46 136.79 0.1 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.1 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.52 129.94 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.151 179.743 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 9.7 tttp 72.68 -65.69 0.34 Allowed 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.026 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -138.99 122.49 17.29 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.595 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -96.72 25.44 5.21 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.31 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -136.85 135.83 38.23 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.786 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' TYR . . . . . 0.853 ' CZ ' HD12 ' A' ' 72' ' ' LEU . 6.6 m-85 -74.69 -31.6 61.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.941 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.54 44.81 95.25 Favored Glycine 0 C--N 1.338 0.685 0 C-N-CA 121.106 -0.569 . . . . 0.0 112.941 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.502 HD23 ' CB ' ' B' ' 14' ' ' TYR . 2.5 pp -115.04 118.57 33.77 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.045 0.45 . . . . 0.0 110.863 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.47 ' HG2' ' HB3' ' A' ' 25' ' ' LYS . 16.7 tpp180 -74.76 115.5 14.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.323 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.742 HD11 ' CG2' ' A' ' 22' ' ' ILE . 1.1 tm? -98.99 124.68 44.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.228 -179.42 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.64 ' HA ' HD11 ' A' ' 58' ' ' LEU . . . -129.24 169.88 14.27 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.775 179.63 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 89.4 p -129.68 152.83 48.76 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.965 0.412 . . . . 0.0 111.497 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' HIS . . . . . 0.425 ' HD2' ' CE1' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -120.97 179.02 4.5 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.502 179.653 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.606 ' CG2' HD11 ' A' ' 18' ' ' LEU . 26.3 mm -132.86 141.96 43.58 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-O 120.746 0.308 . . . . 0.0 111.339 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 11.2 p90 -149.54 -179.55 7.18 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.238 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.489 HG21 HG23 ' B' ' 39' ' ' ILE . 22.4 t -105.62 112.7 40.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.915 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.618 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 11.0 tptt -62.34 -37.79 87.0 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.291 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -175.85 173.47 2.31 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.054 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ILE . . . . . 0.472 HD12 ' HG3' ' B' ' 41' ' ' GLU . 3.4 mp -140.53 135.35 35.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.477 179.621 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 52.6 p -85.69 143.87 28.13 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.896 0.379 . . . . 0.0 110.846 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -71.41 161.17 31.48 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.926 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 58.49 30.86 20.31 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.081 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 34.3 m -115.85 176.87 4.89 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.678 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.592 HD12 ' HA ' ' A' ' 14' ' ' TYR . 61.0 mt -57.17 -38.77 74.08 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.035 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.73 ' HB2' HD12 ' B' ' 39' ' ' ILE . . . -68.04 -42.62 80.29 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.318 179.457 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.47 -45.82 92.35 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.935 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.38 -34.64 74.85 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.535 179.159 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -70.11 -40.67 74.76 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.244 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.25 30.72 69.25 Favored Glycine 0 C--N 1.335 0.481 0 C-N-CA 121.05 -0.595 . . . . 0.0 113.095 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.799 ' HB2' HG13 ' A' ' 3' ' ' VAL . 68.8 m-20 -116.89 -37.85 3.53 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.889 0.345 . . . . 0.0 111.777 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ILE . . . . . 0.73 HD12 ' HB2' ' B' ' 33' ' ' ALA . 22.8 mt -85.14 123.58 39.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-O 120.662 0.268 . . . . 0.0 110.955 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -129.48 153.68 47.74 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.472 ' HG3' HD12 ' B' ' 27' ' ' ILE . 0.9 OUTLIER -61.94 121.94 14.22 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.741 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.75 -18.04 48.06 Favored Glycine 0 CA--C 1.522 0.494 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.968 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -56.29 131.12 47.19 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.85 0.325 . . . . 0.0 111.059 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.9 t -100.87 116.85 45.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.695 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 32.9 t -94.86 131.32 42.01 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.179 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.2 pp -103.5 -37.27 7.65 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.441 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -130.61 147.79 52.33 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.734 0.302 . . . . 0.0 110.906 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 23.4 mt -135.38 112.16 13.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.725 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 60.43 34.55 20.54 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.205 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.07 28.1 46.82 Favored Glycine 0 C--N 1.336 0.571 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.928 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -139.11 122.09 16.71 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.841 0.321 . . . . 0.0 110.692 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.629 HG12 ' H ' ' B' ' 54' ' ' GLU . 15.4 t -61.4 142.28 16.38 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.47 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.427 ' CG2' HG13 ' B' ' 22' ' ' ILE . 0.2 OUTLIER -118.81 25.08 10.47 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.436 -179.808 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 54' ' ' GLU . . . . . 0.629 ' H ' HG12 ' B' ' 52' ' ' VAL . 0.0 OUTLIER -88.62 148.52 24.01 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 179.456 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 55' ' ' ASN . . . . . 0.58 ' HB2' HD22 ' A' ' 58' ' ' LEU . 0.6 OUTLIER 52.05 18.52 0.85 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.341 -179.487 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 1.7 ttm -99.52 153.3 19.14 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 120.602 0.239 . . . . 0.0 110.656 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 5.8 p -66.12 145.24 56.06 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.626 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.568 HD22 ' HB3' ' A' ' 55' ' ' ASN . 18.1 tp -56.18 -31.75 63.7 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.78 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.08 -37.79 88.65 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.72 179.419 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -56.61 -46.09 81.09 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.807 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.23 -38.95 74.54 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.781 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -64.89 -36.98 86.11 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.601 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.17 -40.81 98.63 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.966 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 5.2 mt -56.64 -34.43 67.29 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.738 0.304 . . . . 0.0 110.609 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 32.0 mt -73.78 -29.73 26.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 179.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -78.69 -46.56 18.8 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.629 0.252 . . . . 0.0 110.816 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 67.1 ttp85 -62.24 -20.92 64.73 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.62 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 52.8 p -51.43 108.94 0.3 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 121.033 0.444 . . . . 0.0 110.922 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -31.14 72.0 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.155 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -169.39 -70.81 0.04 OUTLIER Glycine 0 C--N 1.336 0.562 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.372 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 8.2 ptpt -87.42 134.85 33.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.832 0.348 . . . . 0.0 111.085 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.41 HD12 ' CZ ' ' A' ' 14' ' ' TYR . 0.6 OUTLIER -111.48 141.65 44.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.691 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -125.37 134.06 52.32 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.905 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 1.4 mpp? -129.12 152.52 48.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.711 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 20.1 t -124.57 111.38 28.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.188 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.493 ' HB ' ' HA ' ' A' ' 1' ' ' THR . 2.4 t -100.46 157.35 4.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.238 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.93 162.91 13.88 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.203 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 54.9 mtm180 -58.07 -75.64 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.247 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -172.06 -178.56 2.15 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.641 0.258 . . . . 0.0 111.022 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.14 56.08 0.29 Allowed 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.115 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 5.7 tt -101.0 154.16 18.93 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.81 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 . . . . . 0 C--O 1.252 1.196 0 CA-C-O 118.662 -0.685 . . . . 0.0 111.139 179.795 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 120.707 0.289 . . . . 0.0 111.642 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.675 ' HG2' HG22 ' B' ' 75' ' ' VAL . 0.0 OUTLIER -112.91 136.22 52.8 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.723 179.806 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.744 HG11 ' CD1' ' B' ' 39' ' ' ILE . 12.0 t -103.68 131.32 52.54 Favored 'Isoleucine or valine' 0 C--O 1.231 0.114 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.974 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.406 HG23 ' HG3' ' B' ' 73' ' ' LYS . 4.1 m -129.1 105.86 8.46 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-O 120.831 0.348 . . . . 0.0 111.116 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.492 HD22 ' N ' ' A' ' 5' ' ' LEU . 2.7 mm? -94.34 157.83 15.85 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.872 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.419 ' O ' HD22 ' B' ' 32' ' ' LEU . 20.1 t -132.85 102.79 5.4 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 CA-C-O 120.942 0.401 . . . . 0.0 111.257 179.65 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -91.18 129.5 37.17 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.672 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.19 -50.85 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.976 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.0 ptt180 -56.25 138.13 50.89 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.044 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.4 pttp -93.32 33.82 1.19 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.083 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -107.79 -36.78 6.31 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.022 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -160.2 144.09 14.15 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.881 0.372 . . . . 0.0 111.206 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.56 -170.73 3.25 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.987 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.768 ' HB3' HD23 ' A' ' 16' ' ' LEU . 65.6 m-85 -51.35 -40.18 58.59 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.833 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.96 46.91 90.64 Favored Glycine 0 C--N 1.337 0.628 0 CA-C-N 116.058 -0.519 . . . . 0.0 113.349 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.768 HD23 ' HB3' ' A' ' 14' ' ' TYR . 3.0 pp -122.92 122.13 37.86 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.91 0.386 . . . . 0.0 110.936 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.507 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -79.26 112.41 16.46 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.538 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.757 HD11 ' CG2' ' B' ' 22' ' ' ILE . 0.2 OUTLIER -96.42 139.65 32.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.53 -179.356 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.49 ' N ' HD13 ' A' ' 18' ' ' LEU . . . -142.82 164.94 28.73 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.053 179.75 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.404 ' HB3' HD12 ' B' ' 58' ' ' LEU . 54.2 p -126.96 152.64 46.9 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.966 0.412 . . . . 0.0 111.465 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -120.99 176.1 5.73 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.818 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.79 ' CG2' HD11 ' B' ' 18' ' ' LEU . 26.1 mm -132.2 140.69 47.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.389 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.483 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 12.5 p90 -149.49 179.92 7.59 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.22 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -106.09 113.48 42.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.976 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.512 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 9.7 tptt -63.63 -38.06 89.67 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.195 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -175.3 173.08 2.6 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.854 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.426 ' CG2' ' HB3' ' A' ' 33' ' ' ALA . 3.6 mp -136.86 138.22 46.3 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.907 179.543 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.6 m -84.35 149.09 26.27 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.117 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -77.17 158.98 30.06 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.114 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 57.98 31.24 20.36 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.304 -179.724 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.16 178.14 4.39 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.853 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.501 HD22 ' O ' ' B' ' 6' ' ' VAL . 80.7 mt -58.4 -35.96 72.83 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.968 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.426 ' HB3' ' CG2' ' A' ' 27' ' ' ILE . . . -68.98 -38.53 79.39 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.244 179.293 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.08 -48.63 73.06 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.158 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.96 -40.8 97.26 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.896 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -68.89 -41.58 78.11 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.163 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.79 37.17 93.15 Favored Glycine 0 CA--C 1.521 0.447 0 C-N-CA 121.116 -0.564 . . . . 0.0 112.97 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.686 ' CB ' HG13 ' B' ' 3' ' ' VAL . 22.6 m-80 -120.42 4.84 10.7 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.605 HD11 HD21 ' B' ' 5' ' ' LEU . 3.7 mt -128.04 131.19 69.69 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-O 120.618 0.247 . . . . 0.0 111.033 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 -123.32 157.77 32.49 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -62.41 118.43 7.5 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.764 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.89 -1.18 55.21 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 120.966 -0.635 . . . . 0.0 113.279 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.35 134.12 56.72 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 117.167 0.483 . . . . 0.0 110.905 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 36.5 t -97.08 115.07 35.71 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.021 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 20.1 t -90.45 128.4 42.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.337 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.8 mp -102.79 -43.52 5.54 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.013 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.61 152.22 51.71 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.776 0.322 . . . . 0.0 111.554 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.5 mt -139.08 125.37 23.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.806 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 44.13 37.52 1.9 Allowed 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.905 -179.499 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.72 37.5 22.92 Favored Glycine 0 C--N 1.338 0.645 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.766 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.2 m -145.58 126.11 14.13 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.559 0.219 . . . . 0.0 110.615 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.1 t -62.44 144.15 14.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.566 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.754 HG22 HG13 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -125.44 53.94 1.51 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.048 0.451 . . . . 0.0 110.873 -179.818 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.8 138.36 53.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.233 179.34 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.695 ' HA ' HD13 ' B' ' 58' ' ' LEU . 4.2 m-20 70.57 5.03 5.22 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.97 -179.505 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.9 ttm -91.59 159.94 15.65 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.767 0.318 . . . . 0.0 111.015 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 79.5 p -75.44 148.67 38.91 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.782 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 30.1 tp -56.42 -31.18 63.67 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.717 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.65 -40.79 92.85 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.777 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.92 -41.2 82.2 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.863 179.633 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.37 -37.25 74.86 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.752 179.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.496 ' HA ' HD12 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -68.42 -35.74 78.06 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.237 179.203 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.7 -41.03 88.66 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.901 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.455 ' HA ' HD23 ' A' ' 64' ' ' LEU . 12.4 mt -56.4 -34.94 67.21 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 120.707 0.289 . . . . 0.0 110.615 179.586 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.496 HD12 ' HA ' ' A' ' 62' ' ' LYS . 23.2 mt -69.62 -29.8 42.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.708 179.148 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.21 -51.72 14.57 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.884 179.694 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.4 ttt85 -62.53 -24.97 67.79 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.344 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 m -57.77 115.17 2.65 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.742 0.306 . . . . 0.0 111.111 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.6 mmpp? -86.57 106.54 17.62 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.635 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 61.66 -98.62 0.19 Allowed Glycine 0 C--N 1.335 0.493 0 C-N-CA 121.247 -0.502 . . . . 0.0 113.546 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.436 ' HG3' HG22 ' B' ' 6' ' ' VAL . 0.0 OUTLIER -66.26 140.24 58.13 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 120.725 0.298 . . . . 0.0 111.179 -179.38 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.872 HD12 ' CZ ' ' B' ' 14' ' ' TYR . 0.4 OUTLIER -126.68 144.87 50.79 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.083 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 59.1 mttt -122.28 131.85 54.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.538 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 8.1 mtm -138.87 125.09 20.21 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.801 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 18.4 t -100.15 115.48 41.44 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.153 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.706 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.1 m -115.44 162.94 13.13 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.503 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -132.05 145.48 51.45 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.241 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.68 -43.66 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.273 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t70 69.22 101.26 0.06 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.897 0.38 . . . . 0.0 110.938 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -136.19 148.22 48.02 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.078 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.3 mp -67.15 -42.46 84.31 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 . . . . . 0 C--O 1.252 1.233 0 CA-C-O 118.477 -0.773 . . . . 0.0 110.997 179.869 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 120.809 0.337 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.51 134.43 55.22 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.988 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 3' ' ' VAL . . . . . 0.686 HG13 ' CB ' ' A' ' 38' ' ' ASN . 17.9 t -110.04 119.14 58.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.614 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.92 107.92 14.67 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 120.76 0.314 . . . . 0.0 111.439 -179.435 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.646 ' CD2' HG12 ' B' ' 3' ' ' VAL . 3.2 mm? -99.67 160.06 14.58 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.92 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' VAL . . . . . 0.501 ' O ' HD22 ' A' ' 32' ' ' LEU . 19.8 t -130.36 100.61 5.11 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.958 179.607 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.415 ' HB2' ' CZ ' ' B' ' 14' ' ' TYR . 5.9 ttmt -82.94 130.76 35.18 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.232 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 24.6 t -120.47 129.64 53.95 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.038 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 3.4 mtp85 64.19 177.42 0.18 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.504 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.85 30.32 5.21 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.087 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -139.19 24.05 2.54 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.286 179.672 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -148.08 77.19 1.4 Allowed 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.9 0.381 . . . . 0.0 110.569 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -68.48 170.81 8.38 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.232 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' TYR . . . . . 0.872 ' CZ ' HD12 ' A' ' 72' ' ' LEU . 41.5 m-85 -71.25 -20.22 62.26 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.796 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.04 42.28 94.92 Favored Glycine 0 C--N 1.338 0.676 0 C-N-CA 121.156 -0.545 . . . . 0.0 112.91 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.569 ' O ' HD12 ' B' ' 16' ' ' LEU . 2.8 pp -116.15 122.49 45.24 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.842 0.353 . . . . 0.0 111.043 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.512 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -79.2 111.34 15.32 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.53 179.706 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.79 HD11 ' CG2' ' A' ' 22' ' ' ILE . 0.4 OUTLIER -94.3 137.11 33.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.4 -179.447 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.583 ' N ' HD13 ' B' ' 18' ' ' LEU . . . -137.5 175.54 9.51 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.989 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.404 ' HB3' HD13 ' A' ' 22' ' ' ILE . 6.8 p -141.01 150.89 43.62 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.993 0.425 . . . . 0.0 111.951 -179.612 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -121.9 -179.75 4.24 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.841 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.757 ' CG2' HD11 ' A' ' 18' ' ' LEU . 35.1 mm -134.12 140.31 46.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.279 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 7.7 p90 -149.07 -178.13 6.2 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.385 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 12.2 t -109.16 119.84 59.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.024 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.507 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 10.9 tptm -68.12 -45.41 73.73 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.649 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.444 ' O ' HD13 ' B' ' 27' ' ' ILE . 0.1 OUTLIER -165.67 172.69 11.59 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.844 0.354 . . . . 0.0 111.214 -179.623 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 27' ' ' ILE . . . . . 0.807 HD12 HG22 ' B' ' 39' ' ' ILE . 2.2 mm -125.66 129.91 72.63 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.951 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 6.5 p -78.72 146.51 33.87 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.604 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -74.95 150.07 39.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.157 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 60.43 37.94 19.61 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.431 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 9.2 p -115.36 177.89 4.5 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.837 0.351 . . . . 0.0 111.277 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.523 HD12 ' CD1' ' A' ' 14' ' ' TYR . 64.9 mt -63.32 -36.76 84.75 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.638 179.575 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.756 ' HB1' ' HB ' ' B' ' 39' ' ' ILE . . . -65.35 -43.91 89.39 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.008 179.352 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.46 -43.44 93.21 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.876 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 28.3 tpt180 -71.16 -39.49 71.86 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.755 179.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -64.54 -35.38 80.78 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.185 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.91 39.74 89.37 Favored Glycine 0 C--N 1.334 0.452 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.531 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.738 ' CB ' HG13 ' A' ' 3' ' ' VAL . 36.7 m-80 -129.77 -51.67 1.15 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.599 0.2 . . . . 0.0 111.275 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 39' ' ' ILE . . . . . 0.807 HG22 HD12 ' B' ' 27' ' ' ILE . 29.6 mm -71.57 116.37 13.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.888 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.435 ' C ' HD11 ' B' ' 27' ' ' ILE . 36.9 mt-30 -126.43 171.26 11.17 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.208 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.43 ' HG3' ' HA ' ' B' ' 26' ' ' GLU . 6.1 mp0 -74.46 128.23 35.02 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.771 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.45 -18.99 55.9 Favored Glycine 0 CA--C 1.522 0.472 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.985 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -56.39 132.81 52.14 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.824 0.312 . . . . 0.0 111.098 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.7 t -99.9 125.83 53.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.355 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 21.3 t -97.48 131.24 44.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.421 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.1 -44.46 6.61 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.98 179.691 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.39 154.49 50.71 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.689 -179.349 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.636 ' HB ' HD22 ' B' ' 64' ' ' LEU . 37.1 mt -133.14 120.34 39.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 179.452 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 22.7 p30 43.85 38.1 1.96 Allowed 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.277 0.631 . . . . 0.0 111.892 -179.36 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.5 37.78 16.37 Favored Glycine 0 C--N 1.336 0.545 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.793 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.2 120.1 8.72 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.785 0.293 . . . . 0.0 110.627 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.459 HG12 ' H ' ' B' ' 54' ' ' GLU . 18.3 t -65.3 138.59 22.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.535 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.73 37.75 4.21 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.236 -179.692 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 54' ' ' GLU . . . . . 0.459 ' H ' HG12 ' B' ' 52' ' ' VAL . 0.1 OUTLIER -102.46 146.25 28.37 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 120.727 0.299 . . . . 0.0 110.219 179.11 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 4.8 m120 63.86 9.37 4.44 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.176 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -97.59 161.96 13.52 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 120.954 0.407 . . . . 0.0 111.213 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 10.4 m -77.4 150.71 35.03 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.823 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.695 HD13 ' HA ' ' A' ' 55' ' ' ASN . 8.2 tp -54.6 -30.06 53.52 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.895 179.532 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.98 -42.07 97.66 Favored 'General case' 0 C--O 1.231 0.086 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.75 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -56.73 -45.02 82.2 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.794 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.65 -38.93 72.84 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.651 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 9.1 mtmm -65.47 -38.11 88.83 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.327 179.239 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.2 -39.26 89.52 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.926 179.504 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.636 HD22 ' HB ' ' B' ' 48' ' ' ILE . 0.5 OUTLIER -56.19 -36.06 67.96 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.795 0.331 . . . . 0.0 110.513 179.714 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 13.0 mt -75.05 -31.2 24.51 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 179.186 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.82 -49.39 53.1 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.077 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.34 -33.73 72.83 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.201 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 68' ' ' SER . . . . . 0.402 ' CB ' ' HG ' ' B' ' 72' ' ' LEU . 63.2 m -74.72 90.59 2.33 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.849 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.84 36.17 1.87 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.214 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -172.34 -102.74 0.16 Allowed Glycine 0 C--N 1.333 0.386 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.407 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.45 122.11 35.54 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.946 0.373 . . . . 0.0 111.07 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.532 HD12 ' CE2' ' A' ' 14' ' ' TYR . 0.3 OUTLIER -108.44 144.1 36.49 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.87 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 73' ' ' LYS . . . . . 0.406 ' HG3' HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER -125.98 142.01 51.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.751 179.65 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.46 ' CE ' HD12 ' B' ' 39' ' ' ILE . 32.9 mtm -147.02 127.5 14.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.677 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.675 HG22 ' HG2' ' A' ' 2' ' ' LYS . 24.2 t -97.91 111.12 26.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.559 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 14.4 m -102.52 169.99 1.8 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.289 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -130.19 146.74 51.84 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.165 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -153.68 -58.74 0.13 Allowed 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.066 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -109.07 173.23 6.41 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.056 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -84.33 168.67 15.4 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.879 0.371 . . . . 0.0 111.228 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.36 -44.75 8.97 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.342 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 . . . . . 0 C--O 1.251 1.163 0 CA-C-O 118.681 -0.676 . . . . 0.0 111.647 -179.51 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.456 ' OG1' HG23 ' B' ' 76' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 120.606 0.241 . . . . 0.0 111.113 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.2 pttp -106.73 121.91 45.31 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.867 0.365 . . . . 0.0 111.316 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.731 HG11 ' CG1' ' B' ' 39' ' ' ILE . 36.3 t -104.22 127.14 58.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.883 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.0 m -129.05 105.57 8.28 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.788 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.643 HD11 ' CD1' ' B' ' 39' ' ' ILE . 89.2 mt -98.83 152.29 19.88 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.749 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.8 t -121.19 103.92 14.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.942 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.448 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 0.3 OUTLIER -85.17 151.44 24.1 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.986 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.6 m 68.19 176.94 0.26 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 61.23 75.96 0.39 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.847 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt 55.65 36.74 27.81 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.111 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -144.91 136.14 25.07 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.856 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -76.02 -174.03 2.55 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.249 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.0 pm0 -71.13 168.56 16.92 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.796 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.748 ' HB3' HD23 ' A' ' 16' ' ' LEU . 26.8 m-85 -65.63 -47.5 75.38 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.266 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.59 14.95 45.13 Favored Glycine 0 C--N 1.336 0.558 0 C-N-CA 121.092 -0.575 . . . . 0.0 113.307 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.748 HD23 ' HB3' ' A' ' 14' ' ' TYR . 2.6 pp -86.2 112.24 21.16 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 117.377 0.588 . . . . 0.0 111.045 -179.68 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.453 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 2.9 ttm180 -73.65 130.97 41.13 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.305 179.508 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -117.67 163.75 16.01 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.11 0.481 . . . . 0.0 111.654 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.653 ' HB3' ' CZ ' ' B' ' 23' ' ' PHE . . . -157.18 -179.08 7.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.999 -179.482 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.1 p -134.9 149.25 50.25 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.107 0.48 . . . . 0.0 111.685 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.439 ' HD2' ' CE1' ' B' ' 23' ' ' PHE . 0.1 OUTLIER -116.18 176.08 5.26 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.637 179.812 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.746 ' CG2' HD11 ' B' ' 18' ' ' LEU . 30.6 mm -133.95 138.73 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-O 120.796 0.332 . . . . 0.0 111.34 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.453 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 10.1 p90 -147.81 -179.41 6.88 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.314 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.9 t -103.43 117.02 48.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.069 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.513 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 8.0 tptt -66.18 -39.72 89.91 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.341 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -174.43 175.56 2.55 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.864 0.364 . . . . 0.0 111.083 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.481 ' CG2' ' HB3' ' A' ' 33' ' ' ALA . 2.5 mt -130.16 137.27 56.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.042 179.485 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m -75.84 150.76 37.6 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.143 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -74.93 144.08 43.42 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.787 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.01 33.45 21.36 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.939 -179.546 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.553 ' HB2' ' HA3' ' B' ' 15' ' ' GLY . 24.2 p -103.92 177.75 4.75 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.274 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.628 HD21 ' O ' ' B' ' 6' ' ' VAL . 0.4 OUTLIER -62.55 -41.78 99.12 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.816 179.912 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.66 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -62.12 -43.1 99.57 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.878 179.399 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.79 -36.74 84.37 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.952 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.1 tpt180 -71.6 -41.03 69.45 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.848 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.43 -38.4 74.54 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.447 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.49 36.41 54.58 Favored Glycine 0 C--N 1.334 0.422 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.494 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.665 ' CB ' HG13 ' B' ' 3' ' ' VAL . 1.9 m-80 -118.94 -51.32 2.35 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.483 0.182 . . . . 0.0 110.832 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.66 ' HB ' ' HB1' ' A' ' 33' ' ' ALA . 32.9 mm -73.34 125.33 32.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.791 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.406 ' CA ' HD11 ' A' ' 27' ' ' ILE . 3.9 mt-30 -131.45 155.68 46.94 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.861 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -60.09 119.67 8.26 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.977 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.89 -19.58 40.8 Favored Glycine 0 CA--C 1.522 0.504 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.686 -179.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.55 123.02 13.38 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.893 0.378 . . . . 0.0 111.1 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.2 t -89.52 120.9 39.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.015 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 20.8 t -89.61 120.43 38.35 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.343 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 46' ' ' LEU . 0.2 OUTLIER -85.07 -47.68 9.95 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.903 179.777 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.9 mtpt -136.74 156.23 48.79 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 120.978 0.418 . . . . 0.0 111.493 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.57 ' HB ' HD13 ' A' ' 64' ' ' LEU . 28.3 mt -136.16 118.94 21.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.55 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 56.98 36.75 28.2 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.165 -179.659 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.35 35.89 41.05 Favored Glycine 0 CA--C 1.521 0.465 0 C-N-CA 120.963 -0.637 . . . . 0.0 112.686 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.76 132.84 24.43 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.54 0.21 . . . . 0.0 110.701 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.3 t -64.63 143.19 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.099 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.633 HG22 HG13 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -124.26 43.7 2.93 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.062 179.638 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -115.95 143.99 44.68 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 178.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 65.23 9.44 5.62 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.784 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.6 ttm -98.53 147.66 24.55 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.844 0.354 . . . . 0.0 110.916 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.2 m -61.99 147.57 46.65 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 65.4 tp -54.22 -31.43 53.18 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.667 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.05 -40.39 94.69 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.851 179.545 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.04 -43.4 77.83 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.792 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.15 -42.07 85.12 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.954 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.9 mttm -62.14 -34.88 77.2 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.564 179.25 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.8 m -66.53 -40.1 88.97 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 179.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.57 HD13 ' HB ' ' A' ' 48' ' ' ILE . 1.8 mt -55.52 -34.21 64.44 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.922 0.391 . . . . 0.0 110.42 179.591 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 33.0 mt -71.64 -31.06 40.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.62 179.129 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -74.68 -36.53 62.79 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.789 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -69.81 -25.23 63.67 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.454 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.5 m -64.65 100.2 0.37 Allowed 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 120.771 0.319 . . . . 0.0 110.946 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.8 mmpt? -62.81 -56.34 18.31 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.743 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -124.44 -88.7 0.8 Allowed Glycine 0 C--N 1.336 0.566 0 C-N-CA 120.748 -0.739 . . . . 0.0 113.101 -179.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.35 144.76 48.15 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.755 0.312 . . . . 0.0 110.854 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.703 HD12 ' CZ ' ' B' ' 14' ' ' TYR . 0.4 OUTLIER -121.36 125.19 46.37 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.005 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -108.36 126.8 53.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.634 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.492 ' HG2' HG23 ' A' ' 48' ' ' ILE . 4.9 mtm -137.37 126.09 23.88 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.721 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.9 t -98.22 111.08 27.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.944 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 10.7 m -105.62 174.19 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.433 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -107.47 133.13 52.42 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.062 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.7 mmm-85 -170.59 167.05 8.1 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -101.26 89.92 3.94 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.044 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -169.76 157.23 6.79 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.069 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 63.64 75.84 0.38 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.792 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 . . . . . 0 C--O 1.252 1.203 0 CA-C-O 118.337 -0.84 . . . . 0.0 110.986 -179.979 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 6.7 m . . . . . 0 N--CA 1.489 1.495 0 CA-C-O 120.68 0.276 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -114.58 132.09 56.46 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.247 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' VAL . . . . . 0.665 HG13 ' CB ' ' A' ' 38' ' ' ASN . 17.8 t -109.77 132.19 58.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.2 108.92 10.72 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.13 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 73.1 mt -103.39 157.77 16.8 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.053 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' VAL . . . . . 0.628 ' O ' HD21 ' A' ' 32' ' ' LEU . 21.8 t -129.58 100.76 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.86 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.407 ' HD3' ' HG2' ' B' ' 12' ' ' GLU . 18.1 ttmt -67.9 101.54 1.11 Allowed 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.12 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -110.09 169.28 8.83 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.022 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 67.08 177.45 0.24 Allowed 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.085 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 28.8 tttp -101.41 103.8 14.74 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.878 0.37 . . . . 0.0 111.279 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -177.88 -39.34 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.47 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.451 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' GLU . . . . . 0.407 ' HG2' ' HD3' ' B' ' 7' ' ' LYS . 38.3 mt-10 60.54 60.31 2.0 Allowed 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.025 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -139.36 104.67 5.03 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.185 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' TYR . . . . . 0.703 ' CZ ' HD12 ' A' ' 72' ' ' LEU . 97.3 m-85 -75.51 -24.3 56.81 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.287 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.553 ' HA3' ' HB2' ' A' ' 31' ' ' SER . . . 72.61 39.76 55.26 Favored Glycine 0 C--N 1.334 0.472 0 C-N-CA 120.999 -0.619 . . . . 0.0 112.765 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.578 HD23 ' HB3' ' B' ' 14' ' ' TYR . 2.5 pp -124.64 125.23 43.79 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.853 0.359 . . . . 0.0 111.16 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.513 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -86.67 120.19 27.72 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.781 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.746 HD11 ' CG2' ' A' ' 22' ' ' ILE . 0.4 OUTLIER -98.96 135.93 39.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.728 -179.394 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.581 ' N ' HD13 ' B' ' 18' ' ' LEU . . . -133.6 179.48 6.19 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.721 179.611 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.431 ' O ' ' HG2' ' B' ' 54' ' ' GLU . 88.1 p -147.27 144.49 28.88 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -179.55 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -119.69 177.77 4.83 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.919 179.64 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.405 HG13 ' HB ' ' B' ' 53' ' ' THR . 38.0 mm -128.17 141.3 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.092 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.653 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 12.1 p90 -147.63 175.48 10.84 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.249 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.516 HG23 ' O ' ' B' ' 43' ' ' ASP . 24.7 t -93.88 125.46 46.47 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-O 120.838 0.351 . . . . 0.0 110.997 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.453 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 14.2 tptm -75.22 -42.0 56.46 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.663 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -170.96 174.4 4.77 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.885 0.374 . . . . 0.0 111.412 -179.411 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 27' ' ' ILE . . . . . 0.458 ' CD1' HG22 ' B' ' 39' ' ' ILE . 8.9 mm -123.25 133.22 69.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.623 179.398 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -77.88 145.25 36.33 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.707 0.289 . . . . 0.0 111.025 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.01 140.59 42.04 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.75 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 58.15 40.36 25.09 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.262 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 59.1 m -118.25 178.07 4.57 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.964 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.528 HD12 ' CD1' ' A' ' 14' ' ' TYR . 68.0 mt -56.22 -43.99 79.13 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.103 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.42 -45.59 91.13 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.296 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.8 -38.53 91.02 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.107 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 13.9 mmt-85 -73.51 -41.87 62.5 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.005 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.54 -33.67 74.52 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.465 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.12 29.23 73.78 Favored Glycine 0 C--N 1.335 0.516 0 C-N-CA 120.899 -0.667 . . . . 0.0 113.052 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.682 ' HB2' HG13 ' A' ' 3' ' ' VAL . 76.7 m-20 -110.12 -32.75 6.89 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.723 0.261 . . . . 0.0 111.442 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 39' ' ' ILE . . . . . 0.731 ' CG1' HG11 ' A' ' 3' ' ' VAL . 23.6 mt -97.05 133.02 40.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-O 120.731 0.301 . . . . 0.0 111.201 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -137.34 171.72 14.06 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -72.18 117.94 14.44 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.781 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.08 4.22 44.75 Favored Glycine 0 CA--C 1.523 0.593 0 C-N-CA 121.026 -0.607 . . . . 0.0 113.186 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' ASP . . . . . 0.642 ' HB3' HG11 ' B' ' 76' ' ' VAL . 0.7 OUTLIER -73.76 111.62 9.08 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 117.078 0.439 . . . . 0.0 110.837 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 23.4 t -80.24 104.85 9.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.982 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' VAL . . . . . 0.58 HG22 ' CG1' ' B' ' 76' ' ' VAL . 21.6 t -83.5 120.84 35.36 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.378 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.56 HD23 ' HG3' ' B' ' 47' ' ' LYS . 7.3 tt -92.87 -37.0 12.52 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.979 179.56 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' LYS . . . . . 0.56 ' HG3' HD23 ' B' ' 46' ' ' LEU . 19.9 mtpt -136.46 152.72 50.88 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.83 0.348 . . . . 0.0 111.496 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.486 ' HB ' HD13 ' B' ' 64' ' ' LEU . 26.0 mt -140.87 120.32 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.435 179.484 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 57.9 33.18 22.92 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 -179.403 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.79 33.89 32.56 Favored Glycine 0 C--N 1.336 0.556 0 C-N-CA 120.939 -0.648 . . . . 0.0 113.071 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.26 128.27 15.53 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.807 0.304 . . . . 0.0 110.995 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.696 HG12 ' H ' ' B' ' 54' ' ' GLU . 22.1 t -69.1 140.06 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.744 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.405 ' HB ' HG13 ' B' ' 22' ' ' ILE . 0.3 OUTLIER -114.45 20.94 15.03 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -179.569 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 54' ' ' GLU . . . . . 0.696 ' H ' HG12 ' B' ' 52' ' ' VAL . 9.8 tm-20 -92.84 145.77 24.14 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.91 0.386 . . . . 0.0 110.484 179.294 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 74.49 -1.72 3.01 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.095 -179.758 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 1.9 ttm -97.27 165.99 11.77 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.908 0.385 . . . . 0.0 110.987 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.15 151.85 39.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.741 179.627 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 39.2 tp -54.78 -30.67 57.44 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.572 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.36 -38.88 91.38 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.813 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.34 -43.41 83.37 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.891 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.63 -39.62 81.03 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.767 0.318 . . . . 0.0 110.749 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' LYS . . . . . 0.432 ' HA ' HD12 ' B' ' 65' ' ' ILE . 6.8 mtpt -64.9 -36.53 84.65 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.587 179.365 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.31 -42.73 96.17 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.005 179.451 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.486 HD13 ' HB ' ' B' ' 48' ' ' ILE . 2.7 mt -56.0 -36.98 68.52 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.824 0.345 . . . . 0.0 110.148 179.581 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 65' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' B' ' 62' ' ' LYS . 17.8 mt -73.59 -32.03 34.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.774 179.111 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -71.24 -46.72 60.44 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.773 0.321 . . . . 0.0 110.972 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -61.06 -26.74 67.85 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.495 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' SER . . . . . 0.459 ' CB ' ' HG ' ' B' ' 72' ' ' LEU . 36.5 m -64.53 95.9 0.15 Allowed 'General case' 0 CA--C 1.53 0.198 0 CA-C-O 120.886 0.374 . . . . 0.0 111.068 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.58 -33.83 35.74 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.437 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -121.62 -98.39 1.54 Allowed Glycine 0 C--N 1.337 0.616 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.973 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -80.73 146.77 30.87 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.787 0.327 . . . . 0.0 111.068 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.487 HD12 ' CE2' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -121.16 119.37 32.16 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 3.4 tttt -103.24 129.06 50.08 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.591 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 22.2 mtp -137.6 122.68 19.12 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.028 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 20.3 t -98.74 112.61 31.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.929 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.642 HG11 ' HB3' ' B' ' 43' ' ' ASP . 6.0 m -109.4 175.62 1.54 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.388 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.24 163.5 13.59 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.967 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.81 64.2 1.51 Allowed 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 120.866 0.365 . . . . 0.0 111.348 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -86.85 151.16 23.59 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.223 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 63.04 86.56 0.12 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.29 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -160.7 129.43 4.7 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.18 -0.914 . . . . 0.0 111.242 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.0 p . . . . . 0 N--CA 1.492 1.635 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.6 pttp -116.27 135.57 53.77 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.831 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.648 HG13 ' HB2' ' B' ' 38' ' ' ASN . 21.0 t -114.82 131.66 66.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.169 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.426 HG22 ' HD2' ' B' ' 71' ' ' LYS . 0.6 OUTLIER -128.96 105.59 8.31 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.776 179.718 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 75.7 mt -100.35 142.76 31.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.587 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.0 t -113.18 101.57 12.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.952 0.406 . . . . 0.0 111.164 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.44 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 0.6 OUTLIER -84.05 100.89 11.38 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.955 179.882 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.6 t -173.01 159.14 3.91 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.799 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.8 mtt180 62.81 -173.11 0.16 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.296 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.55 60.5 5.71 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 120.928 0.394 . . . . 0.0 110.883 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -117.83 15.49 14.36 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.181 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 65.64 160.18 0.12 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.021 0.439 . . . . 0.0 111.569 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.68 -177.65 4.37 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.867 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.796 ' CE2' HD12 ' B' ' 72' ' ' LEU . 38.1 m-85 -57.95 -42.63 85.36 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.198 -179.587 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 50.32 53.8 22.59 Favored Glycine 0 C--N 1.336 0.583 0 C-N-CA 121.401 -0.428 . . . . 0.0 112.972 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.726 HD23 ' HB3' ' A' ' 14' ' ' TYR . 2.4 pp -124.84 124.94 43.16 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.887 0.375 . . . . 0.0 111.071 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.51 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.3 OUTLIER -72.36 121.55 19.69 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.692 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.704 HD11 ' CG2' ' B' ' 22' ' ' ILE . 0.6 OUTLIER -100.37 135.38 41.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.612 -179.314 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.609 ' N ' HD13 ' A' ' 18' ' ' LEU . . . -137.29 177.0 8.21 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.788 179.497 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 83.0 p -142.11 155.43 45.35 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.109 0.481 . . . . 0.0 111.609 -179.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.419 ' O ' HD13 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -122.06 178.73 4.78 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.265 179.586 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.767 HG23 HD11 ' B' ' 18' ' ' LEU . 29.3 mm -131.55 139.32 50.95 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.156 0 CA-C-O 120.705 0.288 . . . . 0.0 111.248 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.471 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 8.8 p90 -149.47 177.39 9.76 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.056 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.1 t -104.29 111.76 35.17 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.927 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.466 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 1.5 tttp -62.64 -49.84 73.57 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.441 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -162.58 174.81 12.12 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.094 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.6 mp -123.99 146.96 28.63 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.067 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.5 t -90.93 151.28 21.17 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.871 0.367 . . . . 0.0 111.109 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -75.81 159.59 30.86 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.683 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.1 p30 42.33 34.88 0.55 Allowed 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.911 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.0 m -111.1 174.78 5.7 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.882 0.372 . . . . 0.0 110.594 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.424 HD22 ' O ' ' B' ' 6' ' ' VAL . 23.6 mt -58.37 -41.88 85.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.83 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.526 ' CB ' HD13 ' A' ' 39' ' ' ILE . . . -60.86 -41.77 96.56 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.183 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.84 -39.86 87.77 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.353 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.39 -47.63 54.99 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.362 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.2 -37.71 88.45 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.598 0.237 . . . . 0.0 111.389 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.45 40.58 96.36 Favored Glycine 0 C--N 1.334 0.459 0 C-N-CA 121.172 -0.537 . . . . 0.0 113.125 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.496 ' CB ' HG13 ' B' ' 3' ' ' VAL . 40.7 m-80 -122.33 8.84 9.69 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.556 HG13 HG11 ' B' ' 3' ' ' VAL . 2.0 mp -129.08 139.74 51.08 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-O 120.629 0.252 . . . . 0.0 111.231 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -132.1 156.2 46.77 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.009 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -67.83 121.48 16.1 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.629 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.38 -16.98 57.47 Favored Glycine 0 CA--C 1.523 0.583 0 C-N-CA 120.89 -0.671 . . . . 0.0 113.006 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.16 128.04 34.97 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.87 0.335 . . . . 0.0 111.218 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 28.2 t -83.24 135.02 25.64 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.411 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 24.8 t -104.84 124.44 59.48 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.99 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -91.7 -45.69 8.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.822 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -133.42 156.7 47.21 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.386 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.2 mt -139.56 128.02 27.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.509 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.5 t30 55.21 30.58 14.84 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.305 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.44 34.31 36.45 Favored Glycine 0 C--N 1.337 0.622 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.926 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.81 144.63 28.32 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.652 0.263 . . . . 0.0 110.863 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.633 HG12 ' H ' ' A' ' 54' ' ' GLU . 21.9 t -73.19 144.38 12.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.791 179.72 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.458 ' HB ' HG13 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -128.51 20.79 6.12 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.649 -179.834 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.633 ' H ' HG12 ' A' ' 52' ' ' VAL . 0.9 OUTLIER -80.98 150.3 28.98 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 120.937 0.399 . . . . 0.0 110.815 179.398 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 50.52 19.49 0.58 Allowed 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.302 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.2 tpp -99.26 162.42 13.06 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.721 0.296 . . . . 0.0 110.571 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 m -72.81 143.57 47.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.658 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 66.7 tp -54.8 -32.96 60.93 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.732 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -37.32 86.29 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.531 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -58.4 -42.32 86.86 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.48 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.05 -37.47 71.85 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.4 mttm -64.21 -36.66 84.79 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.655 179.388 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.11 -43.37 98.99 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.757 179.574 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.88 -37.76 69.24 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.375 179.564 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 33.5 mt -72.85 -32.44 40.23 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.804 179.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -73.69 -43.14 60.11 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.776 0.322 . . . . 0.0 110.736 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 -67.73 -23.02 65.21 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.706 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 73.6 m -54.73 111.71 0.87 Allowed 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 120.762 0.315 . . . . 0.0 110.917 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 23.3 mtmm -63.93 -33.09 74.93 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.422 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -174.82 -62.05 0.05 OUTLIER Glycine 0 C--N 1.334 0.427 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.046 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.6 pttt -83.73 128.34 34.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.817 0.341 . . . . 0.0 111.348 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.65 HD12 ' CZ ' ' B' ' 14' ' ' TYR . 0.6 OUTLIER -115.84 133.88 55.57 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.494 ' HG2' HG23 ' B' ' 4' ' ' THR . 86.8 mttt -125.58 105.77 9.27 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.067 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -114.0 128.76 56.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.804 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.404 HG22 ' HG2' ' B' ' 2' ' ' LYS . 18.1 t -97.81 131.78 44.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.753 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.448 ' CG2' ' HB ' ' B' ' 1' ' ' THR . 29.3 m -108.37 173.77 1.77 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.454 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -92.66 132.83 36.57 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -127.75 -178.24 4.42 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.947 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 62.93 -175.76 0.15 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.29 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -158.48 -45.79 0.06 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.445 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 40.6 mt -54.47 128.33 31.47 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.09 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.151 -0.928 . . . . 0.0 111.411 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 1' ' ' THR . . . . . 0.448 ' HB ' ' CG2' ' A' ' 76' ' ' VAL . 61.9 m . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 120.672 0.273 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.404 ' HG2' HG22 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -110.43 142.13 42.58 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.315 -179.565 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 3' ' ' VAL . . . . . 0.556 HG11 HG13 ' A' ' 39' ' ' ILE . 22.2 t -121.69 111.15 29.8 Favored 'Isoleucine or valine' 0 C--O 1.231 0.118 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.929 179.645 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.494 HG23 ' HG2' ' A' ' 73' ' ' LYS . 3.9 m -110.36 122.22 47.17 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.998 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.437 HD11 HD11 ' A' ' 39' ' ' ILE . 86.1 mt -121.23 156.67 31.95 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.845 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 6' ' ' VAL . . . . . 0.424 ' O ' HD22 ' A' ' 32' ' ' LEU . 18.6 t -133.43 102.07 4.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.867 0.365 . . . . 0.0 111.154 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.475 ' HB2' ' CE1' ' B' ' 14' ' ' TYR . 0.0 OUTLIER -90.91 142.36 27.85 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.326 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 14.8 t -95.85 158.23 15.54 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.058 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 24.3 mtt-85 -94.51 26.46 3.43 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.308 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 26.6 tttp -110.62 -68.3 0.94 Allowed 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.526 0.203 . . . . 0.0 111.109 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -166.45 68.01 0.11 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.978 0.418 . . . . 0.0 110.908 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -148.24 130.03 15.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.81 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -122.79 150.43 42.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.803 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' TYR . . . . . 0.817 ' HB3' HD23 ' B' ' 16' ' ' LEU . 48.0 m-85 -60.3 -36.23 77.4 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.161 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.39 32.3 72.28 Favored Glycine 0 C--N 1.335 0.498 0 C-N-CA 120.993 -0.623 . . . . 0.0 112.848 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.817 HD23 ' HB3' ' B' ' 14' ' ' TYR . 2.8 pp -102.32 118.39 36.78 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.844 0.354 . . . . 0.0 110.781 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.466 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -75.79 109.56 9.49 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.481 179.867 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.767 HD11 HG23 ' A' ' 22' ' ' ILE . 1.7 tm? -95.14 136.18 35.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.242 -179.486 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.713 ' N ' HD13 ' B' ' 18' ' ' LEU . . . -137.36 167.15 22.17 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.108 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 59.8 p -132.96 141.3 48.25 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.823 0.344 . . . . 0.0 111.634 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -105.24 179.36 4.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.767 179.647 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.704 ' CG2' HD11 ' A' ' 18' ' ' LEU . 32.0 mm -132.31 140.08 48.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.412 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.458 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 12.9 p90 -149.42 177.47 9.67 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.369 179.737 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.2 t -101.32 113.2 36.77 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.074 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.51 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 4.0 tptt -64.06 -35.58 81.2 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.239 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -175.38 172.12 2.74 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.815 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 3.8 mp -126.53 133.08 69.49 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.956 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 69.5 m -76.82 157.3 31.63 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.007 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -84.18 152.24 24.37 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.116 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 59.8 32.78 21.5 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.258 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 52.1 p -114.33 174.26 6.04 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.779 0.323 . . . . 0.0 111.263 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.41 ' HB2' ' HA ' ' A' ' 14' ' ' TYR . 12.7 mt -61.26 -42.08 98.03 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.053 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.05 -43.26 99.15 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.655 0.264 . . . . 0.0 110.869 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.9 -36.78 78.44 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.986 179.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 -71.71 -43.86 65.19 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.631 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.07 -37.26 83.69 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.997 179.676 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.83 38.78 89.67 Favored Glycine 0 C--N 1.334 0.44 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.813 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.648 ' HB2' HG13 ' A' ' 3' ' ' VAL . 75.7 m-80 -125.67 4.72 7.48 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 39' ' ' ILE . . . . . 0.609 HD11 HG11 ' A' ' 3' ' ' VAL . 20.8 mm -127.16 108.35 18.45 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-O 120.704 0.287 . . . . 0.0 110.964 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.32 152.72 21.22 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.806 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -59.2 119.61 7.67 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.954 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.5 -11.8 46.97 Favored Glycine 0 CA--C 1.523 0.552 0 C-N-CA 120.783 -0.722 . . . . 0.0 113.181 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.81 123.85 15.57 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.969 0.385 . . . . 0.0 111.065 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.3 t -85.84 119.51 34.32 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' VAL . . . . . 0.716 ' HA ' HG12 ' B' ' 76' ' ' VAL . 23.5 t -88.15 138.6 18.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.262 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.859 HD21 HG12 ' B' ' 75' ' ' VAL . 2.3 pp -110.24 -37.52 5.52 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.338 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 47' ' ' LYS . . . . . 0.401 ' CG ' HD12 ' B' ' 46' ' ' LEU . 2.9 mtpp -142.21 155.64 45.28 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.924 0.392 . . . . 0.0 111.309 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.422 HG22 ' ND2' ' B' ' 49' ' ' ASN . 35.3 mt -140.58 122.66 15.34 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.468 179.356 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 49' ' ' ASN . . . . . 0.422 ' ND2' HG22 ' B' ' 48' ' ' ILE . 66.4 m-20 56.58 36.06 27.02 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.164 -179.457 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.27 31.41 51.9 Favored Glycine 0 CA--C 1.523 0.562 0 C-N-CA 120.948 -0.644 . . . . 0.0 113.264 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.14 132.66 17.7 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 117.014 0.407 . . . . 0.0 110.855 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.761 HG12 ' H ' ' B' ' 54' ' ' GLU . 29.5 t -68.7 136.93 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.712 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.521 HG23 ' CD1' ' B' ' 64' ' ' LEU . 0.2 OUTLIER -108.34 18.12 21.38 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.873 -179.712 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 54' ' ' GLU . . . . . 0.761 ' H ' HG12 ' B' ' 52' ' ' VAL . 9.7 tm-20 -80.83 151.79 28.53 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 179.226 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 61.28 7.11 1.56 Allowed 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.468 -179.163 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 2.1 ttm -97.32 148.4 23.19 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.712 0.291 . . . . 0.0 110.531 179.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.3 146.05 52.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.629 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 60.4 tp -53.66 -32.19 50.61 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.816 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.33 -40.21 81.68 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.807 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -57.46 -37.32 72.67 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.407 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.93 -38.08 81.35 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.105 178.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' B' ' 63' ' ' THR . 0.0 OUTLIER -61.71 -34.19 75.35 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.243 178.813 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 63' ' ' THR . . . . . 0.441 ' N ' ' HG3' ' B' ' 62' ' ' LYS . 0.2 OUTLIER -70.52 -41.94 71.9 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.995 179.691 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.521 ' CD1' HG23 ' B' ' 53' ' ' THR . 1.7 mt -55.38 -34.73 64.59 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.574 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 22.2 mt -70.7 -32.31 48.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.778 179.122 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -76.45 -39.77 52.42 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 120.836 0.351 . . . . 0.0 110.955 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -63.83 -26.03 68.44 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.417 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 44.1 t -47.73 113.24 0.67 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.805 0.336 . . . . 0.0 111.507 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.64 79.46 9.35 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.588 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.15 -77.7 2.09 Favored Glycine 0 C--N 1.333 0.369 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.753 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' LYS . . . . . 0.426 ' HD2' HG22 ' A' ' 4' ' ' THR . 1.7 mtmm -84.18 139.77 32.18 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-O 120.792 0.33 . . . . 0.0 111.274 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.796 HD12 ' CE2' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -119.53 115.94 25.06 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.654 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.39 115.52 29.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.504 179.611 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -124.22 126.54 46.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.144 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.859 HG12 HD21 ' B' ' 46' ' ' LEU . 14.0 t -106.99 128.46 61.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.655 179.528 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.716 HG12 ' HA ' ' B' ' 45' ' ' VAL . 28.9 m -131.67 177.26 7.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.396 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -95.83 159.24 15.08 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.955 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 19.9 ptt180 -71.51 174.77 6.2 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.299 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -98.69 179.07 4.79 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.186 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -78.73 177.01 8.99 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.19 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 mt -106.44 125.21 50.72 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 4.4 pm0 . . . . . 0 C--O 1.251 1.176 0 CA-C-O 118.491 -0.766 . . . . 0.0 111.221 179.949 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.432 ' O ' HG22 ' B' ' 76' ' ' VAL . 3.5 p . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.58 138.15 41.27 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.892 0.377 . . . . 0.0 111.312 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.651 HG12 ' CD2' ' A' ' 5' ' ' LEU . 23.5 t -116.21 127.21 73.87 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.936 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.447 ' C ' HD22 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -128.37 114.55 16.99 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.001 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.651 ' CD2' HG12 ' A' ' 3' ' ' VAL . 3.4 mm? -110.19 152.87 25.54 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.959 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.2 t -119.8 99.43 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.056 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.546 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 0.4 OUTLIER -74.85 132.52 41.58 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.141 179.809 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.3 p -102.97 -147.54 0.38 Allowed 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.733 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.41 -177.45 0.55 Allowed 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 120.504 0.192 . . . . 0.0 110.985 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.5 tttm -78.86 57.66 2.18 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.101 0.477 . . . . 0.0 110.833 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -140.24 -39.19 0.44 Allowed 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.527 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -117.98 90.85 3.42 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.728 0.299 . . . . 0.0 110.647 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -73.57 171.59 12.93 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.681 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.671 ' HA ' HD12 ' B' ' 32' ' ' LEU . 60.3 m-85 -57.93 -40.85 81.47 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.265 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.97 42.57 77.27 Favored Glycine 0 C--N 1.334 0.432 0 C-N-CA 120.997 -0.621 . . . . 0.0 113.09 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.587 HD23 ' HB3' ' A' ' 14' ' ' TYR . 3.3 pp -128.41 124.58 36.63 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.892 0.377 . . . . 0.0 110.781 179.659 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.483 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 2.6 mmm180 -81.7 115.61 21.03 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.746 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.534 HD23 ' CD1' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -93.97 139.51 30.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.909 0.385 . . . . 0.0 111.405 -179.769 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.53 ' HA ' HD11 ' B' ' 58' ' ' LEU . . . -140.37 172.22 13.04 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.935 179.506 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 99.2 p -132.16 145.69 51.53 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.888 0.375 . . . . 0.0 111.78 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -117.61 177.84 4.61 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.147 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.779 ' CG2' HD11 ' B' ' 18' ' ' LEU . 29.0 mm -131.94 141.68 44.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.239 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.433 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 10.1 p90 -149.64 178.57 8.73 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.376 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.2 t -102.54 124.78 56.74 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.112 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.2 tptt -78.3 -36.54 46.43 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.389 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -173.4 171.11 4.05 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.671 0.272 . . . . 0.0 111.453 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.418 HG12 ' HG3' ' A' ' 41' ' ' GLU . 7.5 mm -121.75 147.49 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.981 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.0 t -90.14 148.78 22.77 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.899 0.38 . . . . 0.0 111.211 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.3 mp0 -83.04 146.17 28.88 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.444 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.3 t0 57.92 34.15 24.0 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.987 -179.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.9 p -113.98 -178.98 3.51 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.821 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.795 HD11 ' HA ' ' B' ' 7' ' ' LYS . 13.8 mt -60.23 -41.09 92.38 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.18 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.23 -44.64 88.31 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.186 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.77 -35.8 77.53 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.281 179.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.1 ttt85 -73.73 -39.89 63.96 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.095 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.405 ' CG ' HD23 ' B' ' 5' ' ' LEU . 0.2 OUTLIER -77.17 -35.28 56.05 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.498 -179.787 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.32 49.09 59.28 Favored Glycine 0 C--N 1.334 0.454 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.79 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.657 ' HB2' HG13 ' B' ' 3' ' ' VAL . 29.3 m120 -126.5 -46.8 1.59 Allowed 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.728 0.264 . . . . 0.0 111.602 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.53 ' CD1' HG11 ' B' ' 3' ' ' VAL . 3.3 mp -85.4 140.95 15.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-O 120.682 0.277 . . . . 0.0 111.314 -179.691 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -136.7 169.2 18.12 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.171 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.418 ' HG3' HG12 ' A' ' 27' ' ' ILE . 4.4 mt-10 -72.84 118.47 15.81 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.793 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.77 -9.87 48.25 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 120.917 -0.658 . . . . 0.0 113.268 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.38 140.01 46.83 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 117.042 0.421 . . . . 0.0 110.814 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 28.2 t -104.35 105.57 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.189 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.707 ' HA ' HG12 ' A' ' 76' ' ' VAL . 21.9 t -86.19 133.21 30.26 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.583 ' C ' HD22 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -119.05 -8.88 10.13 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 179.599 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.456 ' N ' HD13 ' A' ' 46' ' ' LEU . 1.5 mttt -153.76 144.35 22.47 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.697 0.284 . . . . 0.0 110.957 179.182 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.809 HD12 HD13 ' A' ' 64' ' ' LEU . 21.0 mt -135.29 118.73 24.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.547 179.286 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 45.8 m-20 56.96 34.75 25.4 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.103 -179.382 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.59 36.24 30.26 Favored Glycine 0 C--N 1.336 0.581 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.959 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.17 125.56 13.14 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.698 0.285 . . . . 0.0 110.732 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.484 HG12 ' H ' ' A' ' 54' ' ' GLU . 19.2 t -70.88 134.52 29.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.023 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.446 HG21 HD12 ' A' ' 48' ' ' ILE . 0.6 OUTLIER -113.35 37.26 3.25 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.301 179.823 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.484 ' H ' HG12 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -95.23 143.45 26.62 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.085 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.44 ' HB3' HD22 ' B' ' 58' ' ' LEU . 2.3 m120 67.3 9.89 7.32 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.939 -179.503 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -100.58 162.76 12.71 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.781 0.324 . . . . 0.0 111.291 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.5 m -73.91 147.15 43.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.609 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.7 tp -55.08 -31.13 60.96 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.801 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.08 -40.02 94.42 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.16 -43.07 87.22 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.781 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.55 -39.23 76.18 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.557 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.1 mtpt -64.16 -39.23 93.57 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.368 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.85 -40.76 98.44 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.209 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.809 HD13 HD12 ' A' ' 48' ' ' ILE . 0.7 OUTLIER -55.89 -35.04 66.09 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.691 0.282 . . . . 0.0 110.651 179.799 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 24.4 mt -74.17 -31.41 29.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.668 179.225 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -74.75 -41.51 59.96 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.91 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -64.6 -25.5 68.0 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.357 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.456 ' CB ' ' HG ' ' A' ' 72' ' ' LEU . 58.1 m -62.99 106.84 0.89 Allowed 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.848 0.356 . . . . 0.0 111.235 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.11 80.86 2.03 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.741 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 116.15 -94.81 0.66 Allowed Glycine 0 C--N 1.332 0.312 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.607 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 48.2 mttm -87.82 142.27 27.94 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 120.695 0.283 . . . . 0.0 111.181 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.735 HD12 ' CE2' ' B' ' 14' ' ' TYR . 0.5 OUTLIER -120.77 136.83 54.78 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 179.879 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -119.46 124.62 46.93 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.697 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 8.0 mtm -132.73 122.2 24.21 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.048 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.2 t -103.57 133.06 48.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.956 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.707 HG12 ' HA ' ' A' ' 45' ' ' VAL . 29.4 m -129.65 177.19 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.394 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -113.5 111.41 21.87 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.962 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.14 -175.98 2.95 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.02 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.65 124.09 30.47 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.39 -179.718 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -146.31 134.79 22.0 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.886 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.7 tp -123.65 -53.66 1.77 Allowed 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.809 -179.864 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 13.8 p . . . . . 0 N--CA 1.493 1.704 0 CA-C-O 120.691 0.281 . . . . 0.0 111.709 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 42.5 mttt -125.81 128.15 47.23 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.779 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' VAL . . . . . 0.657 HG13 ' HB2' ' A' ' 38' ' ' ASN . 33.5 t -103.5 129.7 55.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.012 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 29.2 m -127.8 108.85 11.07 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.8 0.333 . . . . 0.0 110.933 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.45 HD11 ' CD1' ' A' ' 39' ' ' ILE . 46.6 mt -102.85 153.67 19.96 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.641 179.669 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 15.6 t -125.99 99.94 6.32 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-O 120.835 0.35 . . . . 0.0 111.247 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.795 ' HA ' HD11 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -73.72 130.34 39.78 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 179.914 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 29.1 m -115.57 156.25 26.11 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.785 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 61.81 -173.01 0.14 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.09 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 pttm -109.03 -27.45 9.64 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.511 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 -95.93 39.32 1.14 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 120.742 0.306 . . . . 0.0 111.297 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -129.18 150.5 50.54 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.793 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -137.55 161.77 35.53 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.195 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 14' ' ' TYR . . . . . 0.735 ' CE2' HD12 ' A' ' 72' ' ' LEU . 69.9 m-85 -74.36 -31.76 62.52 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.118 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.73 45.21 96.23 Favored Glycine 0 C--N 1.335 0.51 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.955 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.517 HD23 ' HB3' ' B' ' 14' ' ' TYR . 2.2 pp -115.37 114.66 25.41 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.002 0.43 . . . . 0.0 110.777 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 2.2 ttm-85 -74.22 111.6 9.56 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.59 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.779 HD11 ' CG2' ' A' ' 22' ' ' ILE . 0.8 OUTLIER -97.4 134.23 40.93 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.611 -179.276 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.65 ' N ' HD13 ' B' ' 18' ' ' LEU . . . -133.34 165.06 25.7 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.562 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 84.1 p -126.13 148.73 49.32 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 121.081 0.467 . . . . 0.0 111.765 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' HIS . . . . . 0.408 ' O ' HD13 ' B' ' 22' ' ' ILE . 0.1 OUTLIER -119.38 179.09 4.3 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.792 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.43 HG13 ' HB ' ' B' ' 53' ' ' THR . 21.8 mm -132.68 141.9 43.85 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.12 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.454 ' O ' HD13 ' A' ' 18' ' ' LEU . 12.8 p90 -149.5 175.48 11.46 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.965 179.719 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.409 HG21 HG23 ' B' ' 39' ' ' ILE . 42.6 t -104.8 116.08 47.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.991 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.483 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 1.7 tptm -56.49 -46.97 80.22 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.415 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -171.98 172.68 4.65 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.892 0.377 . . . . 0.0 111.383 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' ILE . . . . . 0.586 ' CD1' HG22 ' B' ' 39' ' ' ILE . 5.7 mm -114.91 141.4 31.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.454 179.381 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 22.0 p -93.5 138.28 31.95 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.732 0.301 . . . . 0.0 110.539 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -69.78 151.57 45.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.291 -179.498 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 58.91 45.43 15.17 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.183 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 2.7 m -134.55 175.07 9.87 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.218 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.671 HD12 ' HA ' ' A' ' 14' ' ' TYR . 42.7 mt -55.43 -43.75 75.65 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.55 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.91 -48.0 83.47 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.631 0.253 . . . . 0.0 111.218 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.68 -35.39 80.4 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.215 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 -75.94 -41.05 52.82 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.32 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.16 -34.71 75.39 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.539 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.03 43.71 80.64 Favored Glycine 0 C--N 1.334 0.444 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.932 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.648 ' CB ' HG13 ' A' ' 3' ' ' VAL . 91.0 m-20 -123.55 -57.6 1.64 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.601 0.239 . . . . 0.0 111.06 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 39' ' ' ILE . . . . . 0.586 HG22 ' CD1' ' B' ' 27' ' ' ILE . 3.9 mt -68.9 134.96 29.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -121.34 171.15 8.96 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.418 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.432 ' HG3' HG12 ' B' ' 27' ' ' ILE . 1.2 mt-10 -81.04 99.95 8.73 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.057 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.27 6.36 36.44 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 121.017 -0.611 . . . . 0.0 114.124 179.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -65.18 142.06 58.46 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 117.548 0.674 . . . . 0.0 110.803 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.9 t -91.31 116.17 31.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.072 -179.31 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 20.8 t -94.04 137.54 22.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.229 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.422 HD11 ' HG3' ' B' ' 77' ' ' GLN . 1.2 mt -112.64 -39.86 4.21 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.072 179.655 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -135.41 153.36 51.82 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.862 0.363 . . . . 0.0 111.558 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.695 ' HB ' HD13 ' B' ' 64' ' ' LEU . 29.7 mt -139.24 124.87 22.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.592 179.543 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 53.28 35.04 19.13 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.356 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.42 33.75 42.66 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.836 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.81 133.86 20.36 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.729 0.264 . . . . 0.0 110.665 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.575 HG12 ' H ' ' B' ' 54' ' ' GLU . 13.2 t -76.35 136.09 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.958 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.43 ' HB ' HG13 ' B' ' 22' ' ' ILE . 0.7 OUTLIER -116.72 29.86 7.68 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.497 179.766 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 54' ' ' GLU . . . . . 0.575 ' H ' HG12 ' B' ' 52' ' ' VAL . 1.0 OUTLIER -85.68 146.45 26.83 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 178.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 4.9 m120 63.86 10.94 5.58 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.122 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -100.09 164.34 12.02 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-O 120.745 0.307 . . . . 0.0 110.906 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 43.4 p -77.03 153.27 34.62 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.557 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.53 HD11 ' HA ' ' A' ' 19' ' ' ALA . 21.2 tp -57.13 -29.29 63.44 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.674 179.542 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.33 -39.98 94.99 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.845 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -57.9 -47.98 81.22 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.837 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.8 -38.39 75.45 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.783 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -33.2 75.4 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.462 179.312 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.96 -43.34 92.99 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.99 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.695 HD13 ' HB ' ' B' ' 48' ' ' ILE . 2.6 mt -54.69 -37.32 65.65 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.893 0.378 . . . . 0.0 110.423 179.68 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 65' ' ' ILE . . . . . 0.466 ' HA ' HD11 ' B' ' 72' ' ' LEU . 27.7 mt -75.5 -30.91 22.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.937 179.328 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -75.69 -47.74 24.94 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.691 0.282 . . . . 0.0 110.804 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.5 -27.82 69.4 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.558 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 6.6 t -58.09 114.17 2.24 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.691 0.282 . . . . 0.0 111.189 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt -84.47 -33.6 23.59 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.198 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -139.31 -111.31 0.96 Allowed Glycine 0 C--N 1.337 0.619 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.815 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 25.8 ttmt -61.81 145.18 53.39 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.884 0.373 . . . . 0.0 111.558 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.61 HD12 ' CZ ' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -133.07 131.4 40.55 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.002 179.816 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.08 145.13 30.93 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.564 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 10.2 mtm -149.24 121.61 8.45 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.823 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 21.9 t -99.17 120.84 49.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 1' ' ' THR . 33.8 m -118.97 160.75 18.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.637 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 77' ' ' GLN . . . . . 0.422 ' HG3' HD11 ' B' ' 46' ' ' LEU . 3.0 mt-30 -97.71 157.91 15.8 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.01 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 3.7 ttm180 68.75 172.25 0.29 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.046 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -158.59 154.24 26.25 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.298 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.32 -19.09 59.83 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.541 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.33 -37.54 87.4 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 120.558 0.218 . . . . 0.0 111.173 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.177 -0.916 . . . . 0.0 111.27 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.493 1.681 0 CA-C-O 120.522 0.201 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.549 ' HG3' HG22 ' B' ' 75' ' ' VAL . 0.0 OUTLIER -104.26 123.37 47.23 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.899 0.38 . . . . 0.0 111.178 -179.832 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.866 HG13 ' CB ' ' B' ' 38' ' ' ASN . 21.3 t -103.71 124.09 57.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.81 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.457 HG23 ' HG3' ' B' ' 73' ' ' LYS . 0.2 OUTLIER -127.82 113.22 15.66 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.846 0.355 . . . . 0.0 111.058 179.904 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.592 ' CD2' HG12 ' A' ' 3' ' ' VAL . 2.7 mm? -107.08 159.47 16.28 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.401 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.6 t -139.49 101.26 1.45 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-O 120.813 0.34 . . . . 0.0 111.285 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.603 ' HA ' HD11 ' B' ' 32' ' ' LEU . 15.9 ptpt -80.51 149.72 29.91 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.934 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.9 160.96 29.97 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.826 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.3 mmt180 -62.29 100.3 0.17 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 59.91 36.95 21.78 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.874 -179.361 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -164.74 153.7 12.84 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.84 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 58.94 84.31 0.11 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.326 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -75.53 171.4 14.35 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.233 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.81 ' HB3' HD23 ' A' ' 16' ' ' LEU . 67.3 m-85 -72.52 -38.96 67.93 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.454 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.15 49.51 74.91 Favored Glycine 0 C--N 1.335 0.506 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.526 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.81 HD23 ' HB3' ' A' ' 14' ' ' TYR . 3.0 pp -121.97 132.09 54.35 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.774 0.321 . . . . 0.0 110.88 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.491 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 1.2 mmt180 -90.0 114.21 26.02 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.76 HD11 HG23 ' B' ' 22' ' ' ILE . 0.8 OUTLIER -103.29 133.89 47.6 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.89 -179.906 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.674 ' N ' HD13 ' A' ' 18' ' ' LEU . . . -138.34 165.14 27.52 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.167 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 88.6 p -131.82 151.32 51.76 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.204 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -115.9 177.84 4.53 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.4 mm -133.16 114.19 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.71 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.763 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 19.7 p90 -118.35 -175.98 2.98 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 120.814 0.34 . . . . 0.0 111.279 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -95.65 118.13 41.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 120.885 0.374 . . . . 0.0 111.596 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.484 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 23.3 tptm -74.97 -38.08 61.77 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.139 179.489 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -175.02 174.02 2.55 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.895 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.2 mp -139.89 136.37 38.69 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.754 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.9 m -87.76 150.8 23.36 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.236 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -79.74 161.17 25.91 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.828 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 59.56 28.0 17.31 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.174 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.2 m -118.15 169.68 9.49 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.848 0.356 . . . . 0.0 110.966 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' B' ' 14' ' ' TYR . 5.3 mt -59.14 -38.49 79.8 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.177 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.95 -45.12 95.08 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.569 0.223 . . . . 0.0 111.01 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.6 -39.43 88.37 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.903 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.34 -39.99 67.72 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.965 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -69.31 -36.83 77.39 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.049 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.72 28.78 73.95 Favored Glycine 0 C--N 1.334 0.434 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.669 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.615 ' HB3' HG13 ' B' ' 3' ' ' VAL . 4.2 m-80 -108.75 -23.49 11.75 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.758 0.279 . . . . 0.0 111.739 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.709 ' CD1' HD11 ' B' ' 5' ' ' LEU . 1.7 mp -108.36 100.89 11.69 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-O 120.758 0.313 . . . . 0.0 110.889 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.16 152.86 23.99 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.666 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -58.88 128.62 38.11 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.832 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.34 -23.97 31.55 Favored Glycine 0 CA--C 1.522 0.521 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.929 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.95 132.42 53.97 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.838 0.319 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 20.2 t -96.93 122.71 48.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.273 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.5 t -94.54 144.74 9.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.05 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.506 HD11 ' HB2' ' A' ' 77' ' ' GLN . 5.8 mp -119.19 -36.98 3.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.497 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.48 ' O ' HD13 ' A' ' 48' ' ' ILE . 0.3 OUTLIER -129.13 150.08 50.67 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 121.028 0.442 . . . . 0.0 111.876 -179.334 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.652 ' HB ' HD13 ' A' ' 64' ' ' LEU . 8.9 mm -131.23 110.03 17.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.396 179.431 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 56.54 35.26 25.75 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.404 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.17 25.84 42.73 Favored Glycine 0 CA--C 1.521 0.452 0 C-N-CA 120.865 -0.683 . . . . 0.0 113.131 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -140.32 122.55 15.86 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.854 0.327 . . . . 0.0 110.46 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.538 HG12 ' H ' ' A' ' 54' ' ' GLU . 22.7 t -67.45 133.85 30.98 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.137 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.056 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -112.93 36.45 3.48 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.169 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.538 ' H ' HG12 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -89.91 142.05 28.07 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.23 179.249 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.624 ' HB3' HD22 ' B' ' 58' ' ' LEU . 1.3 m120 65.62 12.18 8.05 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.863 -179.641 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -98.4 163.73 12.58 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.899 0.38 . . . . 0.0 110.994 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.3 p -76.99 151.48 35.62 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.8 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.433 HD11 ' HA ' ' B' ' 19' ' ' ALA . 12.5 tp -58.66 -27.74 65.05 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.913 179.641 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.37 -40.53 81.4 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.365 179.466 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -55.52 -39.91 71.14 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.591 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.63 -41.09 85.15 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.008 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -60.93 -38.48 85.98 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.971 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.74 -46.65 84.19 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.195 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.652 HD13 ' HB ' ' A' ' 48' ' ' ILE . 1.3 mt -56.89 -36.49 70.19 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.558 179.621 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 28.2 mt -74.05 -31.43 30.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.493 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -71.7 -44.82 63.54 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.922 179.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -61.4 -28.46 69.26 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.46 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.439 ' CB ' ' HG ' ' A' ' 72' ' ' LEU . 43.1 m -62.93 90.51 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 120.846 0.355 . . . . 0.0 110.959 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.22 -27.58 64.59 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.197 -179.418 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -143.08 -79.13 0.05 OUTLIER Glycine 0 C--N 1.335 0.493 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.936 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.57 148.18 27.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.823 0.344 . . . . 0.0 111.276 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.465 HD12 ' CZ ' ' B' ' 14' ' ' TYR . 0.5 OUTLIER -130.39 139.82 50.62 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.694 179.917 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -126.7 132.91 51.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.854 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.6 mtp -142.67 129.45 20.47 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.856 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 22.0 t -100.77 125.54 54.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.791 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.409 HG23 ' HB ' ' B' ' 1' ' ' THR . 31.3 m -113.57 179.51 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.65 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.506 ' HB2' HD11 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -126.05 149.28 48.99 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.277 -179.799 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.8 -48.47 0.25 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.195 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.4 t70 71.54 80.55 0.15 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.994 0.426 . . . . 0.0 111.15 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -107.06 -32.27 7.92 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.519 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.59 98.51 9.64 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 120.75 0.309 . . . . 0.0 110.773 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.102 -0.951 . . . . 0.0 111.189 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' THR . . . . . 0.409 ' HB ' HG23 ' A' ' 76' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 120.79 0.329 . . . . 0.0 111.327 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -134.59 137.08 43.43 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' VAL . . . . . 0.615 HG13 ' HB3' ' A' ' 38' ' ' ASN . 26.2 t -118.66 126.05 74.89 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 3.1 m -128.87 106.11 8.68 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.893 0.378 . . . . 0.0 110.939 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.709 HD11 ' CD1' ' A' ' 39' ' ' ILE . 82.9 mt -96.32 146.31 24.84 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.779 179.681 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 23.1 t -120.88 101.12 10.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.153 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -85.27 114.75 22.6 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.398 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.85 -71.05 0.76 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.322 -179.479 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.24 136.37 40.96 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.95 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.54 -31.53 72.31 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.017 179.687 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -63.66 -32.25 73.67 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.198 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -97.15 119.19 35.18 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.86 0.362 . . . . 0.0 110.771 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.74 167.74 9.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.794 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 14' ' ' TYR . . . . . 0.469 ' HA ' HD12 ' A' ' 32' ' ' LEU . 69.6 m-85 -57.93 -36.89 73.13 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.197 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.02 45.54 95.07 Favored Glycine 0 C--N 1.337 0.606 0 C-N-CA 121.124 -0.56 . . . . 0.0 112.756 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.605 ' O ' HD12 ' B' ' 16' ' ' LEU . 2.2 pp -120.81 128.06 52.51 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-O 120.934 0.397 . . . . 0.0 111.185 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.685 ' C ' HD23 ' B' ' 18' ' ' LEU . 0.0 OUTLIER -101.56 137.74 39.48 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.339 179.663 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.685 HD23 ' C ' ' B' ' 17' ' ' ARG . 0.9 OUTLIER -120.4 169.19 10.54 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 121.688 0.756 . . . . 0.0 111.77 179.664 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.763 ' HB3' ' CZ ' ' A' ' 23' ' ' PHE . . . -157.67 160.73 38.3 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.258 -1.337 . . . . 0.0 109.756 178.609 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 71.6 p -117.62 143.4 46.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.14 0.495 . . . . 0.0 111.997 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' HIS . . . . . 0.412 ' O ' HD13 ' B' ' 22' ' ' ILE . 0.1 OUTLIER -113.25 179.8 3.86 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.29 179.561 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.76 HG23 HD11 ' A' ' 18' ' ' LEU . 28.3 mm -132.63 138.11 52.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.684 0.278 . . . . 0.0 111.177 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.567 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 10.9 p90 -148.91 174.65 12.02 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.116 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.2 t -106.48 115.08 47.3 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.13 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.025 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.491 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 2.4 tptm -63.06 -41.05 99.36 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.235 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.416 ' CG ' ' HG3' ' A' ' 17' ' ' ARG . 11.0 pt-20 -179.25 172.95 1.17 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.059 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' ILE . . . . . 0.557 HG23 ' HB3' ' B' ' 33' ' ' ALA . 3.0 mp -124.04 140.99 45.77 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.945 179.628 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 15.6 m -72.13 152.85 42.03 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.221 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -76.37 137.56 39.88 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.592 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.03 32.09 21.51 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.288 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.8 170.67 8.01 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.588 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.603 HD11 ' HA ' ' A' ' 7' ' ' LYS . 67.1 mt -55.42 -42.8 74.63 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.55 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.578 ' CB ' HD12 ' B' ' 39' ' ' ILE . . . -64.88 -51.9 59.44 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.383 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.52 -34.74 78.93 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.059 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 5.1 ttp85 -74.05 -41.79 61.24 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.99 -31.16 70.66 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.291 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.98 34.3 70.81 Favored Glycine 0 C--N 1.334 0.434 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.696 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.866 ' CB ' HG13 ' A' ' 3' ' ' VAL . 85.6 m-20 -112.76 -38.39 4.58 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.769 0.285 . . . . 0.0 111.453 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 39' ' ' ILE . . . . . 0.752 ' CG1' HG11 ' A' ' 3' ' ' VAL . 22.6 mt -93.18 135.26 28.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-O 120.709 0.29 . . . . 0.0 111.176 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -128.34 152.83 47.69 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -63.62 121.16 13.23 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.643 179.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.39 -16.94 54.68 Favored Glycine 0 CA--C 1.523 0.564 0 C-N-CA 120.726 -0.75 . . . . 0.0 113.176 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' ASP . . . . . 0.556 ' HB3' HG11 ' B' ' 76' ' ' VAL . 1.0 OUTLIER -53.46 122.83 10.5 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.907 0.354 . . . . 0.0 110.914 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 24.2 t -83.76 107.92 15.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' VAL . . . . . 0.448 ' HA ' HG12 ' B' ' 76' ' ' VAL . 21.2 t -76.54 136.19 25.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.144 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.36 -42.4 4.14 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.953 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -137.39 151.06 48.15 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.809 0.337 . . . . 0.0 111.438 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.777 ' HB ' HD13 ' B' ' 64' ' ' LEU . 21.3 mt -132.64 121.54 45.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.32 179.39 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 58.46 33.61 23.26 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.018 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.25 33.93 38.47 Favored Glycine 0 CA--C 1.523 0.556 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.764 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -146.06 131.9 19.08 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.782 0.291 . . . . 0.0 110.964 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.645 HG12 ' H ' ' B' ' 54' ' ' GLU . 17.4 t -64.72 146.29 13.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.836 179.756 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.431 ' HB ' HG13 ' B' ' 22' ' ' ILE . 1.7 m -128.55 24.46 5.8 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.543 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 54' ' ' GLU . . . . . 0.645 ' H ' HG12 ' B' ' 52' ' ' VAL . 3.7 tt0 -93.33 145.49 24.42 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.712 0.291 . . . . 0.0 110.289 179.238 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 2.2 m120 66.0 8.44 5.42 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 115.881 -0.599 . . . . 0.0 112.238 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.28 168.0 9.38 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.815 0.34 . . . . 0.0 111.028 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 51.5 p -74.88 146.22 42.07 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.633 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.624 HD22 ' HB3' ' A' ' 55' ' ' ASN . 9.2 tp -56.78 -31.4 64.6 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.684 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.32 -38.75 84.66 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.657 179.599 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -60.23 -43.32 96.15 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.8 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.46 -36.65 78.75 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.628 179.265 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -68.05 -32.76 73.33 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.02 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.33 -47.0 87.05 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.985 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.777 HD13 ' HB ' ' B' ' 48' ' ' ILE . 6.1 mt -58.81 -35.2 72.48 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.74 0.305 . . . . 0.0 110.421 179.472 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 65' ' ' ILE . . . . . 0.465 HG23 HD11 ' B' ' 72' ' ' LEU . 33.1 mt -74.99 -27.72 20.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.664 179.176 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.83 -39.69 34.83 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.815 0.34 . . . . 0.0 110.86 179.461 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 67' ' ' ARG . . . . . 0.571 HH12 HD23 ' B' ' 64' ' ' LEU . 7.9 ttp-105 -82.3 -3.94 56.25 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.073 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 68' ' ' SER . . . . . 0.45 ' CB ' ' HG ' ' B' ' 72' ' ' LEU . 89.3 p -55.73 113.94 1.68 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.889 0.376 . . . . 0.0 111.22 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 6.4 mtmt -85.38 65.0 8.97 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.154 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' GLY . . . . . 0.478 ' HA2' ' HG3' ' A' ' 7' ' ' LYS . . . 86.73 -65.42 3.77 Favored Glycine 0 C--N 1.335 0.504 0 C-N-CA 121.125 -0.559 . . . . 0.0 112.771 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 12.6 pttt -89.61 118.0 28.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.929 0.395 . . . . 0.0 111.712 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.802 HD12 ' CE2' ' A' ' 14' ' ' TYR . 0.6 OUTLIER -103.05 147.09 27.4 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.002 179.611 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 73' ' ' LYS . . . . . 0.457 ' HG3' HG23 ' A' ' 4' ' ' THR . 0.7 OUTLIER -125.49 129.76 50.42 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.433 179.307 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.426 ' SD ' HG21 ' B' ' 45' ' ' VAL . 0.1 OUTLIER -143.48 119.82 10.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.71 -179.892 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.549 HG22 ' HG3' ' A' ' 2' ' ' LYS . 21.7 t -104.43 118.32 51.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.11 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.556 HG11 ' HB3' ' B' ' 43' ' ' ASP . 9.6 m -109.04 158.35 8.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.383 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -102.36 147.41 26.73 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.157 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 1.5 ttp85 -89.48 156.96 18.31 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.998 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.74 147.0 35.33 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.757 179.657 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 73.26 -62.99 0.45 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.497 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.8 mp 70.43 130.69 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.006 0.431 . . . . 0.0 111.366 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.122 -0.942 . . . . 0.0 110.859 -179.819 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 120.888 0.375 . . . . 0.0 111.215 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -108.37 136.62 47.7 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.882 HG11 ' CD1' ' B' ' 39' ' ' ILE . 22.7 t -117.2 126.58 74.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.935 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.412 HG23 ' HG3' ' B' ' 73' ' ' LYS . 0.2 OUTLIER -128.85 112.18 13.86 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.832 0.348 . . . . 0.0 110.942 179.651 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.544 ' CD2' HG12 ' A' ' 3' ' ' VAL . 3.7 mm? -102.08 155.73 18.0 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.78 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 18.1 t -125.3 98.72 5.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-O 120.765 0.317 . . . . 0.0 110.87 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.58 ' HA ' HD11 ' B' ' 32' ' ' LEU . 0.0 OUTLIER -73.13 125.59 28.06 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.059 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.5 t -86.93 141.45 28.72 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.672 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.29 103.64 0.13 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.045 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.0 pttp 44.57 35.07 1.26 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.727 -179.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -116.59 -39.86 3.27 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.511 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -158.66 123.91 4.32 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.068 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.41 172.97 13.06 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.94 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.786 ' HB3' HD23 ' A' ' 16' ' ' LEU . 36.3 m-85 -67.79 -44.89 76.33 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.526 -179.66 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.0 37.54 94.76 Favored Glycine 0 C--N 1.334 0.458 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.958 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.786 HD23 ' HB3' ' A' ' 14' ' ' TYR . 2.6 pp -118.83 117.03 27.77 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.968 0.413 . . . . 0.0 110.737 179.726 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.52 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -77.73 105.1 8.67 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.788 -179.775 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.608 HD11 ' CG2' ' B' ' 22' ' ' ILE . 0.2 OUTLIER -89.86 141.79 28.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.298 -179.722 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.565 ' HB2' ' HB2' ' B' ' 25' ' ' LYS . . . -143.09 172.9 12.09 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.093 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.494 ' CB ' HD13 ' B' ' 58' ' ' LEU . 59.1 p -131.46 145.04 51.6 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.948 0.404 . . . . 0.0 111.435 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -109.94 171.66 7.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.858 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.801 HG13 HG22 ' A' ' 53' ' ' THR . 27.9 mm -133.8 133.9 56.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.87 179.685 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.452 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 10.2 p90 -145.5 177.98 8.45 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.181 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 50.4 t -106.02 113.22 42.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.963 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.445 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 0.5 OUTLIER -55.8 -42.88 76.29 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.449 179.469 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -173.2 174.1 3.46 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.831 0.348 . . . . 0.0 111.255 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.559 ' CD1' HG22 ' A' ' 39' ' ' ILE . 7.2 mm -110.92 134.46 53.14 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.818 179.733 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.25 147.33 28.99 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.908 0.385 . . . . 0.0 111.082 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.09 148.56 41.76 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.076 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 56.7 37.77 29.04 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.922 -179.677 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.42 ' CB ' ' HA3' ' B' ' 15' ' ' GLY . 41.4 m -117.3 170.03 9.01 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.193 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.449 HD12 ' HA ' ' B' ' 14' ' ' TYR . 5.6 mt -59.4 -40.84 87.92 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.347 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.438 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -58.34 -38.58 77.47 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.652 0.263 . . . . 0.0 111.13 179.491 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.76 -34.99 77.9 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.254 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.83 -44.14 23.67 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.059 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -62.23 -38.85 90.8 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.464 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.26 39.68 71.1 Favored Glycine 0 C--N 1.334 0.453 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.749 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.706 ' HB3' HG22 ' B' ' 3' ' ' VAL . 8.1 m-80 -122.93 -50.5 1.94 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.672 0.273 . . . . 0.0 110.93 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.801 HD11 HD11 ' B' ' 5' ' ' LEU . 23.3 mt -74.11 119.14 20.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.587 179.573 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -108.51 171.13 7.59 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.279 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.35 102.15 5.8 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.99 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.76 6.27 37.91 Favored Glycine 0 CA--C 1.523 0.57 0 C-N-CA 121.141 -0.552 . . . . 0.0 114.053 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -61.64 139.78 58.24 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 117.511 0.656 . . . . 0.0 110.958 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.0 t -95.07 111.52 25.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.805 -179.408 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.3 t -81.95 138.25 19.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-O 120.894 0.378 . . . . 0.0 111.244 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.43 HD21 ' OE1' ' A' ' 77' ' ' GLN . 4.9 mp -109.23 -41.02 4.77 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.187 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.0 mttp -142.89 161.92 36.84 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.905 0.383 . . . . 0.0 112.019 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.419 HG23 ' HG2' ' A' ' 74' ' ' MET . 27.9 mt -139.81 121.57 15.86 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.757 179.439 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 43.01 38.06 1.33 Allowed 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.969 -179.548 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 83.95 40.3 8.82 Favored Glycine 0 C--N 1.336 0.543 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.788 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.9 m -147.53 131.68 17.36 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.693 0.247 . . . . 0.0 110.499 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.3 t -63.39 139.33 21.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 120.618 0.247 . . . . 0.0 110.964 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.801 HG22 HG13 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -114.19 40.68 2.45 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.084 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -121.01 143.28 49.13 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 178.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.434 ' OD1' ' HB1' ' A' ' 19' ' ' ALA . 4.2 m-80 69.25 6.42 5.66 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.464 -178.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.2 ttm -93.19 146.75 23.45 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.712 0.292 . . . . 0.0 110.85 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.0 t -69.93 146.95 50.81 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.8 179.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 60.3 tp -55.98 -32.19 63.7 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.825 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.434 ' O ' ' HG2' ' A' ' 62' ' ' LYS . 0.3 OUTLIER -73.01 -46.3 52.89 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.655 179.696 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -55.49 -35.56 65.7 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 120.709 0.29 . . . . 0.0 110.469 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.91 -35.27 80.62 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.693 179.076 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 59' ' ' THR . 1.1 ptmt -64.13 -35.11 79.71 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.397 179.145 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.84 -41.93 91.13 Favored 'General case' 0 C--O 1.23 0.064 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.02 179.519 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.04 -35.65 64.7 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.601 179.58 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 36.7 mt -69.24 -31.51 50.11 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 179.222 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -77.17 -38.89 50.76 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.794 0.33 . . . . 0.0 110.632 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -61.99 -27.87 69.17 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.592 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 80.3 p -54.24 109.42 0.48 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 121.014 0.435 . . . . 0.0 111.215 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -61.48 -37.74 84.74 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.28 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -162.02 -67.99 0.02 OUTLIER Glycine 0 C--N 1.335 0.482 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.457 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -81.56 133.02 35.33 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.848 0.356 . . . . 0.0 110.785 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.719 HD12 ' CE2' ' B' ' 14' ' ' TYR . 0.4 OUTLIER -118.24 117.73 29.92 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.956 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -103.82 130.33 51.36 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.609 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.419 ' HG2' HG23 ' A' ' 48' ' ' ILE . 40.1 mtm -142.81 129.03 19.85 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.614 -0.267 . . . . 0.0 110.99 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.8 t -99.05 126.4 52.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.715 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.3 m -113.97 168.34 6.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.928 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.43 ' OE1' HD21 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -93.64 159.11 15.36 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.005 179.793 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 71.15 146.2 0.07 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.396 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -115.49 110.36 19.17 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.858 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -127.24 83.6 2.18 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.586 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.429 ' O ' ' HB2' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -150.76 167.63 26.85 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.206 -179.685 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' ' 81' ' ' LEU . 36.6 mt-10 . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.156 -0.926 . . . . 0.0 111.533 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 79.3 p . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 120.884 0.373 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.97 125.82 47.18 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.429 -179.578 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 3' ' ' VAL . . . . . 0.706 HG22 ' HB3' ' A' ' 38' ' ' ASN . 23.5 t -103.92 111.14 32.43 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.608 179.61 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 36.7 m -113.17 105.78 13.86 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.798 0.332 . . . . 0.0 110.655 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.801 HD11 HD11 ' A' ' 39' ' ' ILE . 26.6 mt -105.22 159.18 16.07 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.875 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 19.7 t -133.19 101.71 4.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.674 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.528 ' HB2' ' CE1' ' B' ' 14' ' ' TYR . 0.0 OUTLIER -82.86 100.43 10.34 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.463 -179.661 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.74 34.17 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.415 179.523 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 175.47 -177.64 0.11 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.776 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 69.37 -74.27 0.08 Allowed 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.211 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 18.1 m-20 -158.88 28.28 0.22 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.854 -0.157 . . . . 0.0 111.196 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 41.37 35.61 0.44 Allowed 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.039 0.447 . . . . 0.0 111.39 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -142.48 135.68 28.64 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.755 -179.527 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 14' ' ' TYR . . . . . 0.719 ' CE2' HD12 ' A' ' 72' ' ' LEU . 82.5 m-85 -72.11 -28.2 63.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.237 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.42 ' HA3' ' CB ' ' A' ' 31' ' ' SER . . . 61.3 45.7 95.94 Favored Glycine 0 C--N 1.336 0.548 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.904 179.572 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.663 HD23 ' HB3' ' B' ' 14' ' ' TYR . 2.0 pp -120.87 114.01 20.96 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.0 0.428 . . . . 0.0 110.687 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.445 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -71.55 109.34 5.43 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.249 179.832 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.746 HD11 ' CG2' ' A' ' 22' ' ' ILE . 0.4 OUTLIER -93.54 137.95 32.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.048 0.451 . . . . 0.0 111.79 -179.133 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.603 ' N ' HD13 ' B' ' 18' ' ' LEU . . . -136.08 176.18 8.93 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.742 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 87.6 p -137.64 148.94 46.19 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.011 0.434 . . . . 0.0 111.934 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -122.74 177.91 5.25 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.815 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.608 ' CG2' HD11 ' A' ' 18' ' ' LEU . 22.7 mm -131.81 137.9 53.97 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-O 120.76 0.314 . . . . 0.0 111.244 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.454 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 12.7 p90 -149.28 -178.14 6.23 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.39 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 15.2 t -107.83 113.14 42.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.747 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.565 ' HB2' ' HB2' ' A' ' 19' ' ' ALA . 12.5 tptt -60.98 -40.73 94.57 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.385 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.429 ' HA ' ' HG2' ' B' ' 41' ' ' GLU . 0.4 OUTLIER -173.1 174.67 3.38 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.757 0.313 . . . . 0.0 111.353 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 27' ' ' ILE . . . . . 0.654 ' CD1' HG22 ' B' ' 39' ' ' ILE . 7.9 mm -123.58 132.97 70.47 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.63 179.581 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 3.6 m -81.61 136.84 35.54 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.759 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -67.15 146.41 54.27 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.967 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 57.55 48.32 14.56 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 121.03 0.443 . . . . 0.0 110.688 -179.664 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 24.2 m -126.52 174.82 8.36 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.959 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.58 HD11 ' HA ' ' A' ' 7' ' ' LYS . 17.1 mt -60.81 -36.52 79.25 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.385 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.693 ' HB1' ' HB ' ' B' ' 39' ' ' ILE . . . -67.75 -36.25 80.2 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 120.517 0.199 . . . . 0.0 111.165 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.87 -51.1 52.02 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.133 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' B' ' 32' ' ' LEU . 0.0 OUTLIER -66.18 -38.77 88.85 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.955 179.626 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ASP . . . . . 0.412 ' HB2' ' O ' ' B' ' 32' ' ' LEU . 16.0 t70 -62.83 -37.08 85.37 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.077 179.637 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.69 40.5 85.53 Favored Glycine 0 C--N 1.334 0.459 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.77 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.619 ' CB ' HG13 ' A' ' 3' ' ' VAL . 4.8 m-80 -127.85 -49.26 1.36 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.665 0.232 . . . . 0.0 111.159 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 39' ' ' ILE . . . . . 0.882 ' CD1' HG11 ' A' ' 3' ' ' VAL . 38.6 mm -79.77 119.61 29.51 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.053 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -121.74 169.53 10.64 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.987 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.429 ' HG2' ' HA ' ' B' ' 26' ' ' GLU . 10.1 mt-10 -75.41 119.43 19.49 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.778 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.89 -13.93 52.86 Favored Glycine 0 CA--C 1.523 0.568 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.949 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.33 130.45 39.06 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.803 0.302 . . . . 0.0 111.173 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 22.1 t -96.93 97.79 6.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.719 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' VAL . . . . . 0.401 HG22 HG12 ' B' ' 76' ' ' VAL . 30.0 t -80.12 111.3 16.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.163 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.4 -38.79 34.02 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.487 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 47' ' ' LYS . . . . . 0.749 ' CG ' HG22 ' B' ' 52' ' ' VAL . 2.0 mtpt -130.87 148.51 52.65 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.733 0.302 . . . . 0.0 111.382 -179.63 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.563 HG23 ' HG2' ' B' ' 74' ' ' MET . 36.1 mt -136.18 121.13 26.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.599 179.539 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 59.64 37.01 22.63 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.276 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.77 27.47 66.99 Favored Glycine 0 C--N 1.336 0.575 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.732 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.13 125.42 14.68 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.503 0.192 . . . . 0.0 110.553 -179.527 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.749 HG22 ' CG ' ' B' ' 47' ' ' LYS . 20.6 t -73.37 134.02 30.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.475 179.619 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.404 ' HB ' HG13 ' B' ' 22' ' ' ILE . 0.8 OUTLIER -110.38 34.73 3.76 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.943 179.836 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 54' ' ' GLU . . . . . 0.548 ' H ' HG12 ' B' ' 52' ' ' VAL . 0.4 OUTLIER -88.42 143.42 27.0 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.024 179.065 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 6.0 m120 62.22 16.56 8.5 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.743 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -108.95 169.73 8.49 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.751 0.31 . . . . 0.0 111.129 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.3 t -74.27 142.68 45.25 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.583 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.494 HD13 ' CB ' ' A' ' 20' ' ' SER . 44.6 tp -58.31 -33.09 69.09 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.711 179.529 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 59' ' ' THR . . . . . 0.446 ' O ' ' HG2' ' B' ' 62' ' ' LYS . 0.2 OUTLIER -63.55 -41.6 98.42 Favored 'General case' 0 N--CA 1.46 0.045 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.761 179.63 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -55.75 -36.92 67.82 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 120.64 0.257 . . . . 0.0 110.482 179.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.39 -35.15 80.07 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.805 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' LYS . . . . . 0.499 ' HA ' HD12 ' B' ' 65' ' ' ILE . 1.1 pttp -64.72 -34.89 79.39 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.389 179.179 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.07 -40.97 97.43 Favored 'General case' 0 N--CA 1.46 0.049 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.042 179.629 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.539 HD13 ' HB ' ' B' ' 48' ' ' ILE . 6.7 mt -55.23 -39.67 69.97 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.514 179.419 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 65' ' ' ILE . . . . . 0.629 ' HA ' HD11 ' B' ' 72' ' ' LEU . 12.7 mt -69.23 -32.49 53.95 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.858 179.294 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -76.36 -41.03 49.48 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.753 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 4.5 ttt85 -60.22 -31.04 69.8 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.363 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 12.0 t -54.15 107.54 0.28 Allowed 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.872 0.368 . . . . 0.0 111.287 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.58 -33.03 66.46 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.894 179.728 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -143.76 -85.06 0.07 OUTLIER Glycine 0 C--N 1.337 0.628 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.673 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.82 152.39 22.14 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.918 0.389 . . . . 0.0 111.482 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.701 HD12 ' CE2' ' A' ' 14' ' ' TYR . 0.4 OUTLIER -125.02 151.16 45.94 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.011 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 73' ' ' LYS . . . . . 0.453 ' H ' HD23 ' B' ' 72' ' ' LEU . 32.1 mttt -121.61 139.13 53.93 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.628 179.513 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.563 ' HG2' HG23 ' B' ' 48' ' ' ILE . 8.6 mtm -147.94 123.73 10.57 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.782 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 21.9 t -101.99 117.91 48.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.754 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.401 HG12 HG22 ' B' ' 45' ' ' VAL . 31.4 m -100.48 150.25 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.442 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -110.9 142.84 42.43 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.143 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 78' ' ' ARG . . . . . 0.498 ' HB3' HD21 ' B' ' 81' ' ' LEU . 63.9 mtt180 -128.51 112.72 14.63 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.129 179.682 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 79' ' ' ASP . . . . . 0.413 ' C ' HD23 ' B' ' 81' ' ' LEU . 20.1 t0 -141.38 145.42 35.34 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.773 179.545 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 59.95 62.69 1.6 Allowed 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.876 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.498 HD21 ' HB3' ' B' ' 78' ' ' ARG . 0.4 OUTLIER -141.36 71.84 1.37 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.892 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.183 0 CA-C-O 118.494 -0.765 . . . . 0.0 110.836 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 28.5 p . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 120.809 0.337 . . . . 0.0 111.271 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.9 mtpp -129.05 133.76 47.84 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.9 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.883 HG13 ' HB2' ' B' ' 38' ' ' ASN . 39.6 t -103.4 125.93 57.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.4 m -128.89 105.88 8.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.679 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 67.2 mt -102.48 155.32 18.34 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.034 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.443 ' O ' HD22 ' B' ' 32' ' ' LEU . 21.3 t -124.97 99.56 6.27 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 CA-C-O 120.889 0.376 . . . . 0.0 111.172 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.454 ' HB2' ' CE1' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -81.25 127.99 33.3 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.075 179.86 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.9 m -117.82 116.97 28.06 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.913 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.42 -179.25 0.17 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.04 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -100.43 29.13 4.56 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.101 179.575 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -102.38 -35.89 8.64 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.161 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -120.29 104.97 10.48 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.91 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.07 168.62 13.12 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.772 179.614 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.793 ' HB3' HD23 ' A' ' 16' ' ' LEU . 48.8 m-85 -61.36 -27.7 68.7 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.077 179.631 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.52 33.45 59.0 Favored Glycine 0 C--N 1.337 0.62 0 C-N-CA 121.29 -0.481 . . . . 0.0 113.283 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.793 HD23 ' HB3' ' A' ' 14' ' ' TYR . 2.7 pp -107.58 115.58 30.4 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.945 0.402 . . . . 0.0 110.478 179.706 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.517 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.1 OUTLIER -72.32 108.37 5.42 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.552 -179.879 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.741 HD11 HG23 ' B' ' 22' ' ' ILE . 1.0 OUTLIER -96.69 127.42 42.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 -179.542 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.628 ' N ' HD13 ' A' ' 18' ' ' LEU . . . -135.04 165.62 24.93 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.968 179.7 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.413 ' OG ' ' HA ' ' A' ' 55' ' ' ASN . 56.6 p -119.31 152.67 36.34 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.87 0.366 . . . . 0.0 111.156 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -117.87 177.56 4.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.783 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 28.5 mm -132.85 126.83 54.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.881 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.825 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 21.6 p90 -129.79 174.67 9.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.595 HG21 HG23 ' A' ' 39' ' ' ILE . 25.3 t -98.21 111.89 29.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.09 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.494 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 8.5 tptt -67.65 -36.89 81.58 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.359 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -174.02 176.57 2.54 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.838 0.352 . . . . 0.0 111.229 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.548 HG21 ' HB3' ' A' ' 33' ' ' ALA . 3.6 mp -141.02 136.54 33.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.741 179.461 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.8 m -68.47 152.31 45.57 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.844 0.354 . . . . 0.0 111.251 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -79.02 144.06 35.05 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.927 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 57.13 32.13 21.18 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.23 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.1 p -99.75 -178.3 3.83 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.839 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.4 mt -59.96 -35.18 74.43 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.071 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.63 ' HB2' ' CD2' ' B' ' 16' ' ' LEU . . . -70.17 -38.77 75.48 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.087 179.611 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.06 -42.78 95.24 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.765 0.317 . . . . 0.0 111.033 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -35.36 69.02 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.72 179.401 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -73.36 -38.16 65.81 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.431 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.9 34.93 91.23 Favored Glycine 0 C--N 1.335 0.501 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.506 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.721 ' HB3' HG22 ' B' ' 3' ' ' VAL . 5.6 m-80 -112.33 -27.22 8.39 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.633 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.595 HG23 HG21 ' A' ' 24' ' ' VAL . 3.0 mt -107.59 132.73 54.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 120.646 0.26 . . . . 0.0 111.283 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -134.42 159.95 39.5 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -60.48 120.11 9.32 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.788 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.31 -16.76 44.88 Favored Glycine 0 CA--C 1.523 0.558 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.859 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.22 144.57 19.7 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 120.747 0.308 . . . . 0.0 111.347 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.5 t -108.45 122.4 62.91 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.023 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.9 t -93.1 130.65 41.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.399 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.04 -45.24 5.73 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.708 179.467 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.9 mtpt -137.58 153.42 49.94 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.392 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 30.4 mt -136.9 120.78 22.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.619 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 57.69 35.38 25.55 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.212 -179.511 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.92 31.18 54.31 Favored Glycine 0 CA--C 1.522 0.493 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.901 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.61 131.65 20.43 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.679 0.239 . . . . 0.0 110.706 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.44 HG12 ' H ' ' A' ' 54' ' ' GLU . 6.4 t -67.42 143.91 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.687 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.27 31.46 6.67 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.454 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.44 ' H ' HG12 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -88.76 148.71 23.81 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 120.717 0.294 . . . . 0.0 110.32 179.19 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.521 ' HB2' HD22 ' B' ' 58' ' ' LEU . 0.5 OUTLIER 53.19 17.24 0.94 Allowed 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.67 -0.696 . . . . 0.0 112.145 -179.334 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.1 ttm -95.03 142.88 26.99 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.652 0.263 . . . . 0.0 110.595 179.48 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.37 143.85 48.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.829 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.761 HD11 ' HA ' ' B' ' 19' ' ' ALA . 1.1 tp -53.13 -33.23 51.46 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.021 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.18 -40.8 64.52 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.757 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -55.43 -41.92 73.46 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.243 179.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.53 -36.63 78.89 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.555 179.108 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 63' ' ' THR . 0.0 OUTLIER -62.41 -32.94 73.86 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.658 179.312 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.424 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 0.2 OUTLIER -63.06 -41.84 99.55 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.97 179.58 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.84 -34.55 67.87 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.853 0.359 . . . . 0.0 110.224 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 16.9 mm -71.13 -31.91 46.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.691 179.133 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.68 -46.01 27.39 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.056 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -57.19 -32.82 66.85 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.977 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.429 ' CB ' ' HG ' ' A' ' 72' ' ' LEU . 75.2 m -70.58 97.09 1.27 Allowed 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.872 0.368 . . . . 0.0 110.752 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.76 38.85 1.39 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.035 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 172.6 -102.62 0.18 Allowed Glycine 0 C--N 1.334 0.431 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.558 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -84.24 130.5 34.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.81 0.338 . . . . 0.0 111.056 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.698 HD12 ' CZ ' ' B' ' 14' ' ' TYR . 0.4 OUTLIER -117.48 132.44 56.55 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.035 -179.889 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.0 mtmt -114.65 130.83 56.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.667 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 18.3 mtm -140.53 123.51 16.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.688 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.8 t -98.26 118.13 44.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.031 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 6.5 m -108.49 167.06 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.471 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -105.61 115.45 30.27 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.54 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 63.08 87.76 0.1 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.969 -0.559 . . . . 0.0 112.368 179.046 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.606 ' HB3' HG21 ' B' ' 1' ' ' THR . 4.7 t70 -168.46 44.33 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.466 179.067 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.629 ' CG ' HG23 ' B' ' 1' ' ' THR . 1.5 mm-40 -151.23 95.37 2.16 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.873 179.605 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.45 HD22 ' O ' ' A' ' 80' ' ' GLU . 0.5 OUTLIER -138.01 -170.87 2.88 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.856 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.198 -0.906 . . . . 0.0 111.034 179.885 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' THR . . . . . 0.629 HG23 ' CG ' ' A' ' 80' ' ' GLU . 7.8 m . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 120.587 0.232 . . . . 0.0 111.244 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 7.7 mttm -133.14 128.26 35.68 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.178 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' VAL . . . . . 0.721 HG22 ' HB3' ' A' ' 38' ' ' ASN . 43.8 t -104.16 126.97 58.77 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.818 179.732 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 1.5 m -128.94 105.65 8.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.779 0.323 . . . . 0.0 110.805 179.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 68.1 mt -100.17 152.13 20.62 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.745 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 25.6 t -127.24 101.52 7.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 120.861 0.363 . . . . 0.0 111.153 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.432 ' HB2' ' CE1' ' B' ' 14' ' ' TYR . 0.9 OUTLIER -90.37 121.84 32.71 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.736 179.693 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.09 164.82 12.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.927 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 8.2 ptt180 -57.09 -46.53 82.49 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.883 -179.432 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -122.22 49.81 1.54 Allowed 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 120.853 0.359 . . . . 0.0 111.18 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -133.57 32.44 3.6 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.224 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 64.35 167.14 0.16 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.941 0.401 . . . . 0.0 111.217 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -92.93 -179.03 5.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.976 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' TYR . . . . . 0.698 ' CZ ' HD12 ' A' ' 72' ' ' LEU . 15.0 m-85 -66.8 -38.84 87.28 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.207 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.42 49.22 61.36 Favored Glycine 0 C--N 1.337 0.63 0 C-N-CA 121.131 -0.556 . . . . 0.0 112.429 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.63 ' CD2' ' HB2' ' A' ' 33' ' ' ALA . 0.6 OUTLIER -106.75 142.1 36.93 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.919 0.39 . . . . 0.0 111.535 -179.226 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.494 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -103.94 122.12 44.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.974 179.02 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.428 HD11 HG22 ' A' ' 24' ' ' VAL . 2.5 mp -124.71 153.42 42.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.081 0.467 . . . . 0.0 111.914 -179.51 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.825 ' HB3' ' CZ ' ' A' ' 23' ' ' PHE . . . -143.1 -177.18 5.23 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.821 179.643 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.616 ' HB3' HD12 ' A' ' 58' ' ' LEU . 53.5 p -132.05 149.96 52.28 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.954 0.407 . . . . 0.0 112.03 -179.693 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 21' ' ' HIS . . . . . 0.436 ' O ' HD13 ' B' ' 22' ' ' ILE . 0.1 OUTLIER -123.29 -179.34 4.27 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.447 179.57 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.741 HG23 HD11 ' A' ' 18' ' ' LEU . 40.5 mm -129.5 138.03 55.33 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-O 120.775 0.321 . . . . 0.0 111.173 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.587 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 6.3 p90 -146.79 178.81 8.03 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.039 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 19.6 t -108.0 110.96 33.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.038 179.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.517 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 10.2 tptm -56.08 -45.47 79.34 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.048 179.627 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -176.46 170.97 2.44 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.099 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 2.1 mt -117.97 131.99 69.09 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.169 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 60.1 m -78.82 150.3 32.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.149 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -74.74 152.11 39.1 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.975 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 57.7 33.15 22.88 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.097 -179.726 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 1.7 m -110.77 171.84 7.22 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.961 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.443 HD22 ' O ' ' A' ' 6' ' ' VAL . 18.5 mt -61.4 -40.32 93.94 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.221 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.443 ' HB2' HD12 ' B' ' 39' ' ' ILE . . . -64.94 -47.57 77.2 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.057 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.92 -38.25 87.7 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.996 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 55.4 mtp85 -71.1 -41.33 70.74 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.82 -32.73 69.88 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.682 -0.235 . . . . 0.0 111.28 179.732 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.25 39.26 94.35 Favored Glycine 0 C--N 1.333 0.392 0 C-N-CA 120.911 -0.661 . . . . 0.0 113.036 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.883 ' HB2' HG13 ' A' ' 3' ' ' VAL . 19.7 m120 -111.75 -48.49 3.06 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.813 0.306 . . . . 0.0 111.024 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 39' ' ' ILE . . . . . 0.47 ' CG1' HG11 ' A' ' 3' ' ' VAL . 24.0 mt -74.84 144.85 11.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.367 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -132.46 146.49 51.97 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.804 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -61.53 117.21 5.43 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.609 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.83 -13.84 49.67 Favored Glycine 0 CA--C 1.523 0.588 0 C-N-CA 120.849 -0.691 . . . . 0.0 113.014 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -56.01 135.36 52.6 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.958 0.379 . . . . 0.0 111.042 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.1 t -98.91 100.43 10.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.605 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 21.8 t -68.23 120.48 15.72 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.202 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.433 HD22 ' HA ' ' B' ' 46' ' ' LEU . 0.2 OUTLIER -85.77 -47.72 9.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.884 179.788 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -137.65 150.46 47.4 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.408 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 19.4 mt -126.71 120.87 57.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.381 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 58.55 31.55 21.16 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.17 -179.595 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.32 35.02 27.66 Favored Glycine 0 C--N 1.336 0.544 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.92 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.18 133.72 19.79 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.809 0.305 . . . . 0.0 110.839 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.683 HG12 ' H ' ' B' ' 54' ' ' GLU . 20.7 t -68.77 144.22 14.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.636 179.667 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.441 ' HB ' HG13 ' B' ' 22' ' ' ILE . 0.2 OUTLIER -121.75 21.58 10.72 Favored 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -179.658 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 54' ' ' GLU . . . . . 0.683 ' H ' HG12 ' B' ' 52' ' ' VAL . 7.7 tm-20 -88.25 151.81 22.39 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 120.744 0.307 . . . . 0.0 110.21 179.096 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 3.0 p30 58.96 8.32 0.96 Allowed 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.549 -0.751 . . . . 0.0 112.676 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' MET . . . . . 0.435 ' HE3' ' HA ' ' B' ' 53' ' ' THR . 1.9 ttm -97.94 160.62 14.19 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.728 0.299 . . . . 0.0 110.738 179.571 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 18.4 m -67.46 145.68 54.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.624 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.521 HD22 ' HB2' ' A' ' 55' ' ' ASN . 27.2 tp -55.27 -32.57 62.48 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.592 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.71 -37.91 89.2 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.735 179.648 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.63 -44.75 85.79 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-O 120.769 0.319 . . . . 0.0 110.638 179.549 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.61 -38.14 74.43 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.644 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.05 -36.61 82.42 Favored 'General case' 0 N--CA 1.462 0.125 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.488 179.154 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.93 -44.1 94.54 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.0 -37.65 69.43 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.397 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 65' ' ' ILE . . . . . 0.561 HG23 HD11 ' B' ' 72' ' ' LEU . 24.8 mt -77.13 -30.24 17.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.768 179.134 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -75.24 -44.67 44.84 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.768 0.318 . . . . 0.0 110.799 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -58.54 -30.59 67.22 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.153 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 3.5 m -53.46 113.83 1.3 Allowed 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.275 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? -96.9 34.08 1.78 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.772 179.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 148.0 -89.88 0.15 Allowed Glycine 0 C--N 1.336 0.537 0 C-N-CA 121.106 -0.568 . . . . 0.0 112.389 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 pttp -75.88 138.53 41.13 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.02 0.438 . . . . 0.0 111.39 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.757 HD12 ' CZ ' ' A' ' 14' ' ' TYR . 0.6 OUTLIER -125.04 146.67 49.33 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.798 179.682 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.7 131.68 51.32 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.107 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 13.1 mtp -140.49 122.88 15.98 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.767 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 21.8 t -98.46 119.67 46.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.097 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 13.2 m -110.6 174.47 1.95 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.255 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.28 125.3 40.64 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -103.3 49.67 0.82 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.165 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 1.6 t70 62.05 88.08 0.09 Allowed 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.258 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.75 154.66 17.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.331 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -99.53 44.64 1.01 Allowed 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.781 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.128 -0.939 . . . . 0.0 111.229 179.839 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 17.3 p . . . . . 0 N--CA 1.493 1.701 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.467 ' HG3' HG13 ' B' ' 75' ' ' VAL . 0.5 OUTLIER -126.58 133.61 51.03 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.573 0.225 . . . . 0.0 110.919 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.693 HG22 ' HB3' ' B' ' 38' ' ' ASN . 28.1 t -103.43 125.76 57.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.792 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 m -127.65 106.0 8.85 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.75 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.688 HD11 HD11 ' B' ' 39' ' ' ILE . 51.9 mt -104.16 159.87 15.33 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.876 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.457 HG13 ' HG2' ' B' ' 71' ' ' LYS . 12.9 t -136.49 106.49 5.28 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.006 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.774 ' HA ' HD11 ' B' ' 32' ' ' LEU . 4.9 ptpt -83.95 22.99 1.07 Allowed 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.417 ' H ' HG12 ' A' ' 6' ' ' VAL . 0.2 OUTLIER -116.42 -33.93 4.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.305 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.4 -67.41 0.4 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.146 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -98.15 148.8 23.19 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.25 179.477 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -72.59 71.44 0.97 Allowed 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 120.933 0.397 . . . . 0.0 110.897 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -160.8 164.76 31.21 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.016 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -104.07 177.8 4.74 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.565 179.297 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.722 ' CD2' HD12 ' B' ' 72' ' ' LEU . 15.8 m-85 -66.62 -46.55 75.47 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.205 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.52 52.35 48.54 Favored Glycine 0 C--N 1.337 0.587 0 C-N-CA 121.139 -0.553 . . . . 0.0 112.803 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.635 HD23 ' HB3' ' A' ' 14' ' ' TYR . 2.3 pp -121.17 124.6 45.11 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.935 0.397 . . . . 0.0 110.959 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.422 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 10.1 mtt180 -73.6 118.63 16.78 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.665 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.714 HD11 HG23 ' B' ' 22' ' ' ILE . 0.2 OUTLIER -107.19 129.1 54.9 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.24 -179.903 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.607 ' HB3' ' CZ ' ' B' ' 23' ' ' PHE . . . -132.49 -179.72 5.62 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.827 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 62.5 p -135.81 155.89 49.64 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.177 0.513 . . . . 0.0 111.77 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.402 ' HD2' ' CE1' ' B' ' 23' ' ' PHE . 0.1 OUTLIER -125.19 175.09 7.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.481 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.911 HG13 HG22 ' A' ' 53' ' ' THR . 30.7 mm -134.63 132.36 54.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.151 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.609 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 8.0 p90 -140.73 177.13 8.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.005 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.7 t -102.13 114.01 40.28 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-O 120.965 0.412 . . . . 0.0 111.322 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.479 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 36.4 tptt -59.83 -44.6 93.96 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.527 179.511 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.411 ' HA ' ' HB3' ' A' ' 41' ' ' GLU . 0.7 OUTLIER 179.6 -179.63 0.44 Allowed 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.867 0.365 . . . . 0.0 110.967 -179.566 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.522 HG23 ' HB3' ' A' ' 33' ' ' ALA . 3.4 mp -120.1 133.25 67.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.589 179.31 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.512 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 38.3 m -75.03 156.61 36.0 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.285 -179.782 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -82.76 144.75 29.96 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.117 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 56.53 35.86 26.67 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.11 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.7 m -115.33 171.16 7.87 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.592 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.577 HD12 ' HA ' ' B' ' 14' ' ' TYR . 27.9 mt -57.84 -43.69 85.99 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.09 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.522 ' HB3' HG23 ' A' ' 27' ' ' ILE . . . -64.88 -45.16 87.16 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.477 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 28' ' ' SER . . . -66.57 -36.44 82.66 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.077 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -75.71 -46.81 29.05 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.808 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.435 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 1.3 t0 -60.34 -37.63 81.27 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.706 0.288 . . . . 0.0 111.044 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.66 33.95 87.56 Favored Glycine 0 C--N 1.335 0.511 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.384 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.739 ' HB3' HG13 ' B' ' 3' ' ' VAL . 1.5 m-80 -106.01 -31.65 8.65 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.526 0.203 . . . . 0.0 111.525 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.855 ' CG1' HG11 ' B' ' 3' ' ' VAL . 21.7 mt -96.57 146.07 7.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.013 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -129.83 155.07 46.58 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.055 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.411 ' HB3' ' HA ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -78.73 129.72 34.99 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.722 0.296 . . . . 0.0 110.938 179.563 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.64 -14.68 53.5 Favored Glycine 0 CA--C 1.522 0.506 0 C-N-CA 120.814 -0.708 . . . . 0.0 113.747 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 51.8 p-10 -74.85 157.64 34.76 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 117.646 0.723 . . . . 0.0 110.975 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 25.7 t -111.37 117.12 54.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.344 -178.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.4 t -82.76 135.59 24.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.353 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.4 tt -102.99 -38.38 7.37 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.37 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.9 mttm -135.79 151.94 50.59 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -179.415 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 52.4 mt -139.13 126.83 26.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.639 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 20.1 p30 45.69 33.35 1.44 Allowed 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.215 0.606 . . . . 0.0 111.783 -179.159 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 83.24 38.67 10.75 Favored Glycine 0 C--N 1.337 0.615 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.829 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.32 137.88 20.96 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.688 0.244 . . . . 0.0 110.521 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 38.5 t -64.37 149.09 11.32 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.769 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.911 HG22 HG13 ' A' ' 22' ' ' ILE . 0.6 OUTLIER -132.47 56.52 1.83 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.355 0.597 . . . . 0.0 111.0 179.861 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -135.47 140.32 44.75 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.432 -0.803 . . . . 0.0 109.67 178.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.656 ' O ' HD22 ' B' ' 58' ' ' LEU . 1.6 m-20 67.72 8.01 6.09 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.921 -179.307 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -93.8 169.43 10.31 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.736 0.303 . . . . 0.0 110.791 179.272 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.9 t -84.15 148.08 26.97 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.668 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.636 HD22 ' O ' ' B' ' 55' ' ' ASN . 19.4 tp -56.69 -30.78 63.8 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.653 179.49 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.2 -37.96 81.45 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.414 179.312 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -59.92 -39.32 85.05 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.629 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.664 ' HA ' HD12 ' A' ' 64' ' ' LEU . . . -58.1 -39.29 78.24 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.794 179.411 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.7 mmmt -62.22 -36.68 82.68 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.381 179.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.98 -39.02 92.85 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.973 179.551 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.664 HD12 ' HA ' ' A' ' 61' ' ' ALA . 28.7 mt -55.7 -34.34 65.0 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.718 179.591 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 16.2 mt -76.14 -30.94 20.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.923 179.402 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -74.25 -54.92 6.7 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.948 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.78 -26.2 65.52 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.511 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 m -56.86 115.55 2.65 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.842 0.353 . . . . 0.0 111.141 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.16 105.74 17.73 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.271 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 81.14 -113.34 3.62 Favored Glycine 0 C--N 1.336 0.536 0 C-N-CA 121.218 -0.515 . . . . 0.0 113.204 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.495 ' HE3' HG13 ' B' ' 6' ' ' VAL . 0.0 OUTLIER -69.6 153.35 43.57 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.745 0.307 . . . . 0.0 111.216 -179.601 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.729 HD12 ' CE2' ' B' ' 14' ' ' TYR . 0.4 OUTLIER -130.17 131.05 45.46 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.152 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.85 135.89 48.49 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.946 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 2.0 mtm -136.37 121.36 18.83 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.525 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.6 t -99.04 131.69 45.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.056 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.6 t -103.28 156.75 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.837 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -93.39 145.09 24.73 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 120.886 0.374 . . . . 0.0 111.499 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -141.82 31.83 1.62 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.95 179.184 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -90.55 -175.41 4.43 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.928 179.612 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 60.76 34.51 19.84 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.868 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.74 131.29 53.72 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.43 -179.538 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 . . . . . 0 C--O 1.251 1.181 0 O-C-N 123.563 0.54 . . . . 0.0 111.563 -179.562 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 120.716 0.293 . . . . 0.0 111.198 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -124.11 142.79 50.91 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.037 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' VAL . . . . . 0.855 HG11 ' CG1' ' A' ' 39' ' ' ILE . 24.1 t -127.68 128.57 69.64 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.964 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 6.6 m -129.0 107.36 9.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.151 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.638 ' CD2' HG12 ' B' ' 3' ' ' VAL . 3.8 mm? -100.45 160.17 14.55 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.793 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 6' ' ' VAL . . . . . 0.495 HG13 ' HE3' ' A' ' 71' ' ' LYS . 21.9 t -124.94 100.14 6.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.938 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.535 ' HB2' ' CZ ' ' B' ' 14' ' ' TYR . 0.0 OUTLIER -77.36 117.8 19.2 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.324 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 4.0 p -175.64 167.58 3.19 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.694 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.97 97.48 1.15 Allowed 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.921 0.391 . . . . 0.0 110.723 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.52 -50.18 0.21 Allowed 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.184 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -140.33 -52.66 0.5 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.605 0.241 . . . . 0.0 111.163 179.596 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -176.04 -175.82 0.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.696 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -68.87 -173.58 0.49 Allowed 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.571 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' TYR . . . . . 0.88 ' HB3' HD23 ' B' ' 16' ' ' LEU . 48.9 m-85 -54.94 -47.85 73.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.087 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.38 45.68 95.43 Favored Glycine 0 C--N 1.336 0.54 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.422 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.88 HD23 ' HB3' ' B' ' 14' ' ' TYR . 2.4 pp -115.21 111.66 21.3 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.988 0.423 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.479 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -74.59 114.56 13.15 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.049 179.666 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.564 HD21 ' CG2' ' A' ' 22' ' ' ILE . 0.1 OUTLIER -109.42 164.74 12.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.917 0.389 . . . . 0.0 111.321 -179.636 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.609 ' HB3' ' CZ ' ' A' ' 23' ' ' PHE . . . -157.3 177.75 11.1 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.214 -179.688 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 93.3 p -133.09 152.42 51.95 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.96 0.409 . . . . 0.0 111.162 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' HIS . . . . . 0.58 ' C ' HD12 ' B' ' 22' ' ' ILE . 0.1 OUTLIER -123.72 163.64 20.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.1 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.746 HD13 ' O ' ' B' ' 53' ' ' THR . 1.7 mp -122.75 134.29 66.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.407 179.646 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.607 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 7.6 p90 -143.48 178.03 8.05 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.358 -179.482 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 23.1 t -107.66 110.39 31.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.91 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.422 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 1.3 tttp -59.97 -41.36 91.81 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.296 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -172.66 175.22 3.5 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.952 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' ILE . . . . . 0.421 HD11 ' C ' ' B' ' 40' ' ' GLN . 3.3 mp -130.31 144.82 36.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 69.2 m -85.82 139.89 30.9 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 5.5 pm0 -74.13 158.23 34.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.527 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 56.68 34.98 25.46 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.248 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 1.6 m -120.61 178.33 4.72 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.728 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.774 HD11 ' HA ' ' A' ' 7' ' ' LYS . 42.9 mt -59.79 -39.65 85.64 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.299 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.06 -45.81 91.91 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.152 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.12 -37.71 83.76 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.059 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -74.07 -43.78 56.49 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.691 179.466 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -64.65 -37.04 86.2 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.101 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.6 37.63 93.81 Favored Glycine 0 C--N 1.336 0.569 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.573 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.693 ' HB3' HG22 ' A' ' 3' ' ' VAL . 2.5 m-80 -114.35 -40.5 3.63 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 -179.585 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 39' ' ' ILE . . . . . 0.688 HD11 HD11 ' A' ' 5' ' ' LEU . 8.1 mt -86.53 132.92 31.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-O 120.754 0.312 . . . . 0.0 111.245 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.421 ' C ' HD11 ' B' ' 27' ' ' ILE . 4.6 tp60 -129.7 149.21 51.55 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.68 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 53.6 tt0 -55.81 116.23 2.83 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.636 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.56 -2.35 46.0 Favored Glycine 0 CA--C 1.525 0.664 0 C-N-CA 120.863 -0.684 . . . . 0.0 113.171 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -58.36 142.55 47.91 Favored 'General case' 0 C--N 1.341 0.22 0 CA-C-N 117.034 0.417 . . . . 0.0 110.947 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 22.6 t -106.42 98.46 6.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.81 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 23.7 t -80.29 101.4 5.33 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.148 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.436 HD21 HG12 ' B' ' 75' ' ' VAL . 0.6 OUTLIER -78.74 -31.07 46.12 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.642 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 47' ' ' LYS . . . . . 0.434 ' HD2' HD12 ' B' ' 46' ' ' LEU . 7.6 mttt -139.39 156.44 46.99 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 120.812 0.339 . . . . 0.0 111.232 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.462 ' HB ' HD22 ' B' ' 64' ' ' LEU . 34.8 mt -142.14 121.73 10.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.593 179.622 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 60.35 34.01 20.75 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.33 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.33 25.15 64.16 Favored Glycine 0 C--N 1.335 0.519 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.673 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 4.8 m -131.8 139.4 48.88 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.657 0.265 . . . . 0.0 110.42 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 34.5 t -69.35 134.83 29.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.852 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.746 ' O ' HD13 ' B' ' 22' ' ' ILE . 1.0 OUTLIER -121.07 46.39 2.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.618 179.566 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -118.54 143.14 46.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.016 179.117 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 55' ' ' ASN . . . . . 0.636 ' O ' HD22 ' A' ' 58' ' ' LEU . 3.7 m-20 69.42 6.28 5.61 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.58 -179.385 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -94.61 159.32 15.13 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.75 0.31 . . . . 0.0 110.893 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 2.8 m -65.67 151.49 46.42 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.814 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.656 HD22 ' O ' ' A' ' 55' ' ' ASN . 47.9 tp -55.6 -31.15 62.0 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.405 179.254 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.28 -38.5 71.84 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.797 179.746 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.58 -41.64 70.12 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-O 120.753 0.311 . . . . 0.0 110.245 179.323 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.83 -37.64 87.6 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.259 178.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 62' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' B' ' 63' ' ' THR . 0.0 OUTLIER -65.33 -31.98 73.39 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.742 179.258 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 63' ' ' THR . . . . . 0.45 ' N ' ' HG3' ' B' ' 62' ' ' LYS . 0.9 OUTLIER -66.58 -44.06 83.22 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.035 179.882 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.462 HD22 ' HB ' ' B' ' 48' ' ' ILE . 0.8 OUTLIER -55.35 -37.47 67.53 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.8 0.333 . . . . 0.0 110.288 179.59 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 65' ' ' ILE . . . . . 0.5 HG23 HD11 ' B' ' 72' ' ' LEU . 40.3 mt -70.67 -31.38 45.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.608 178.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -76.56 -41.65 45.71 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.751 179.509 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 -59.34 -27.2 65.7 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.477 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 16.8 t -52.95 114.7 1.52 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 120.732 0.301 . . . . 0.0 111.229 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -94.87 34.97 1.29 Allowed 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.356 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 70' ' ' GLY . . . . . 0.513 ' HA2' ' CG ' ' A' ' 7' ' ' LYS . . . 132.83 -65.51 0.59 Allowed Glycine 0 C--N 1.336 0.535 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.528 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 71' ' ' LYS . . . . . 0.457 ' HG2' HG13 ' A' ' 6' ' ' VAL . 6.3 mttt -91.88 114.15 26.62 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.685 0.279 . . . . 0.0 110.897 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.722 HD12 ' CD2' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -97.79 137.68 36.3 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.044 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -124.14 122.15 37.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.695 179.517 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 14.6 mtp -133.65 118.16 17.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.637 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.467 HG13 ' HG3' ' A' ' 2' ' ' LYS . 36.8 t -98.01 127.99 49.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.753 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 33.5 m -115.13 173.59 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.519 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -111.74 106.96 15.89 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.015 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -120.63 -66.18 1.08 Allowed 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.658 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -89.69 122.02 32.41 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.518 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -60.82 -67.27 0.42 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.327 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 6.9 tt -165.11 -52.68 0.03 OUTLIER 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.93 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.19 -0.91 . . . . 0.0 111.109 179.712 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.484 ' HB ' HG23 ' B' ' 76' ' ' VAL . 7.4 m . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 120.639 0.257 . . . . 0.0 111.203 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -96.49 141.38 29.85 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.858 0.361 . . . . 0.0 111.112 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.693 HG13 ' CB ' ' B' ' 38' ' ' ASN . 20.2 t -119.76 133.45 66.51 Favored 'Isoleucine or valine' 0 C--O 1.231 0.13 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.006 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.87 114.43 16.5 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.929 179.721 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.703 HD21 HD11 ' B' ' 39' ' ' ILE . 26.0 mt -111.99 159.08 18.77 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.099 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 20.9 t -134.22 104.78 6.08 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.959 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.501 ' HA ' HD11 ' B' ' 32' ' ' LEU . 23.9 ttmt -71.49 143.17 50.09 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.142 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.7 m -87.46 163.05 16.93 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.154 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -68.51 95.52 0.63 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.7 pttp 44.12 34.66 1.02 Allowed 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.721 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -108.68 -37.48 5.89 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.411 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -162.08 161.72 28.4 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.804 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -117.57 -179.88 3.86 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.728 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.782 ' HB3' HD23 ' A' ' 16' ' ' LEU . 19.7 m-85 -74.34 -33.8 63.24 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.375 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.01 28.24 63.43 Favored Glycine 0 C--N 1.336 0.544 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.628 -179.361 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.782 HD23 ' HB3' ' A' ' 14' ' ' TYR . 3.2 pp -95.22 138.82 32.41 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.852 0.358 . . . . 0.0 111.112 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.695 ' C ' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -114.04 135.97 53.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.657 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.695 HD23 ' C ' ' A' ' 17' ' ' ARG . 1.4 mt -120.45 169.05 10.69 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-O 121.532 0.682 . . . . 0.0 111.415 179.107 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.766 ' HB3' ' CZ ' ' B' ' 23' ' ' PHE . . . -156.31 171.64 19.87 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.418 -1.264 . . . . 0.0 110.013 178.599 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 64.3 p -128.66 146.53 50.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.16 0.505 . . . . 0.0 112.165 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.429 ' CE1' ' CD ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -115.03 178.43 4.28 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.162 179.299 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.772 HG23 HD11 ' B' ' 18' ' ' LEU . 33.6 mm -130.04 131.68 65.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.7 0.286 . . . . 0.0 111.22 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.625 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 15.4 p90 -142.08 177.02 8.51 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.412 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.2 t -106.11 112.61 40.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.959 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.458 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 9.1 tttp -64.49 -38.13 89.93 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.41 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -177.35 174.76 1.56 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.75 0.309 . . . . 0.0 110.928 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.1 mp -131.09 139.44 51.02 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.201 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.8 t -83.85 154.06 23.68 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.305 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -84.9 156.11 21.39 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.079 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 57.79 31.76 20.93 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.284 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.4 m -119.04 173.94 6.6 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.787 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.495 HD11 ' HA ' ' B' ' 7' ' ' LYS . 34.4 mt -57.78 -44.49 86.28 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.06 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.527 ' CB ' HD12 ' A' ' 39' ' ' ILE . . . -60.25 -45.91 91.61 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.08 179.634 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.06 -37.15 83.54 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.268 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.62 -49.04 43.86 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.214 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.5 -32.47 74.12 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.572 0.225 . . . . 0.0 111.224 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.67 35.91 92.65 Favored Glycine 0 C--N 1.336 0.538 0 C-N-CA 121.013 -0.613 . . . . 0.0 113.111 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.791 ' HB2' HG13 ' B' ' 3' ' ' VAL . 89.6 m-20 -107.86 -33.35 7.26 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.783 0.291 . . . . 0.0 111.511 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.875 HD11 HD11 ' B' ' 5' ' ' LEU . 18.6 mt -90.82 140.42 16.0 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 CA-C-O 120.71 0.291 . . . . 0.0 111.346 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -135.38 150.03 49.82 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.978 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -62.84 127.59 31.98 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.796 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 98.94 -17.63 57.94 Favored Glycine 0 CA--C 1.522 0.518 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.711 -179.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -55.9 139.43 46.04 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.769 0.319 . . . . 0.0 110.923 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 20.8 t -100.94 98.56 7.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.997 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.541 ' HA ' HG12 ' A' ' 76' ' ' VAL . 29.0 t -75.89 89.26 0.78 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.049 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.3 tt -68.51 -44.16 75.25 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.315 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.58 154.28 38.15 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 120.802 0.334 . . . . 0.0 111.235 -179.485 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.547 ' HB ' HD13 ' A' ' 64' ' ' LEU . 34.8 mt -141.0 114.21 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.596 179.719 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 58.97 35.58 24.15 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.384 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.7 32.49 45.77 Favored Glycine 0 C--N 1.335 0.495 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.638 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.38 120.06 9.2 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.604 0.24 . . . . 0.0 110.638 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.528 HG12 ' H ' ' A' ' 54' ' ' GLU . 31.6 t -66.79 133.97 30.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.724 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.409 ' HB ' HG13 ' A' ' 22' ' ' ILE . 0.6 OUTLIER -115.83 37.1 3.74 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.478 -179.793 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.528 ' H ' HG12 ' A' ' 52' ' ' VAL . 10.0 tt0 -93.93 142.85 26.91 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 179.11 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.553 ' OD1' ' HB1' ' A' ' 19' ' ' ALA . 5.9 m-20 69.57 6.53 5.75 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.205 -179.543 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.0 ttm -93.01 178.04 5.88 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.748 0.308 . . . . 0.0 110.59 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.2 p -87.88 149.87 23.85 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.506 179.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.553 HD22 ' O ' ' B' ' 55' ' ' ASN . 16.4 tp -57.18 -29.35 63.59 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.554 -0.293 . . . . 0.0 110.772 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.97 -39.31 93.29 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.839 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.17 -42.24 76.75 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.766 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.17 -44.15 87.8 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.76 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.1 mttp -60.8 -35.51 76.68 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.634 179.407 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.7 m -63.61 -46.35 86.13 Favored 'General case' 0 N--CA 1.462 0.125 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.225 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.547 HD13 ' HB ' ' A' ' 48' ' ' ILE . 6.2 mt -56.04 -37.67 69.54 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.866 0.365 . . . . 0.0 110.162 179.591 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.452 ' HA ' HD11 ' A' ' 72' ' ' LEU . 39.8 mt -75.22 -29.52 21.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.736 178.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.74 -50.27 15.77 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.74 0.305 . . . . 0.0 110.974 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 19.3 ttt-85 -60.71 -28.75 68.88 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.239 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.452 ' CB ' ' HG ' ' A' ' 72' ' ' LEU . 9.4 m -65.58 89.63 0.1 Allowed 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.009 0.433 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.1 mttm -91.29 54.76 2.64 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.232 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 158.14 -117.86 0.8 Allowed Glycine 0 C--N 1.334 0.44 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.295 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.43 140.72 43.09 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.843 0.354 . . . . 0.0 111.333 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.784 HD12 ' CZ ' ' B' ' 14' ' ' TYR . 0.5 OUTLIER -124.9 144.74 50.17 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.672 179.905 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.39 136.16 53.15 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.779 179.734 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.505 ' HG3' HG23 ' A' ' 48' ' ' ILE . 0.8 OUTLIER -141.54 126.17 17.9 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.013 -179.905 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.2 t -100.63 117.16 45.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.541 HG12 ' HA ' ' A' ' 45' ' ' VAL . 28.0 m -119.33 162.7 17.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.588 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.01 129.34 53.35 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.213 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -159.1 158.86 33.76 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.77 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -59.36 141.21 55.08 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.396 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -81.31 149.6 28.87 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.293 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.431 HD23 ' O ' ' A' ' 82' ' ' GLU . 0.3 OUTLIER -96.76 130.91 43.93 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.126 179.908 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.431 ' O ' HD23 ' A' ' 81' ' ' LEU . 2.5 tp10 . . . . . 0 C--O 1.251 1.142 0 CA-C-O 118.67 -0.681 . . . . 0.0 111.627 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 1' ' ' THR . . . . . 0.52 ' HB ' HG23 ' A' ' 76' ' ' VAL . 1.3 m . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 120.598 0.237 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.92 132.12 52.18 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.8 0.334 . . . . 0.0 111.336 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 3' ' ' VAL . . . . . 0.791 HG13 ' HB2' ' A' ' 38' ' ' ASN . 38.3 t -112.02 123.56 67.9 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.138 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 4.9 m -127.02 112.16 14.9 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.819 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.875 HD11 HD11 ' A' ' 39' ' ' ILE . 41.1 mt -110.8 157.69 19.52 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.051 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 33.2 t -123.41 103.32 12.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.099 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.515 ' HB2' ' CZ ' ' B' ' 14' ' ' TYR . 2.0 ttmt -80.75 147.1 30.69 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.301 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.462 ' HB2' ' HB2' ' B' ' 12' ' ' GLU . 49.2 m -92.95 -23.67 18.65 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.558 179.745 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 39.2 ttt180 77.2 -56.82 0.53 Allowed 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 122.565 0.346 . . . . 0.0 111.252 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -47.3 -55.87 7.9 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.569 0.223 . . . . 0.0 111.143 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -170.03 79.23 0.1 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.911 0.386 . . . . 0.0 111.148 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' GLU . . . . . 0.462 ' HB2' ' HB2' ' B' ' 8' ' ' SER . 2.5 mt-10 -173.59 81.89 0.04 OUTLIER 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.959 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -73.46 162.32 29.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.94 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' TYR . . . . . 0.784 ' CZ ' HD12 ' A' ' 72' ' ' LEU . 61.8 m-85 -68.74 -29.46 67.86 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.391 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.15 46.99 92.94 Favored Glycine 0 C--N 1.335 0.515 0 C-N-CA 121.284 -0.484 . . . . 0.0 113.018 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.753 HD23 ' HB3' ' B' ' 14' ' ' TYR . 2.4 pp -124.77 129.27 50.14 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.777 0.323 . . . . 0.0 110.973 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.458 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 1.3 mmt85 -82.68 117.66 22.78 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.705 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.772 HD11 HG23 ' A' ' 22' ' ' ILE . 0.6 OUTLIER -106.4 132.0 52.95 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.992 -179.765 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.625 ' HB3' ' CZ ' ' A' ' 23' ' ' PHE . . . -136.15 175.45 9.59 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.211 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.453 ' OG ' HD13 ' A' ' 58' ' ' LEU . 58.3 p -141.01 150.16 42.68 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.923 0.392 . . . . 0.0 111.703 -179.737 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 21' ' ' HIS . . . . . 0.464 ' HD2' ' CE1' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -114.75 177.16 4.75 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.109 179.718 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.405 HG13 ' HB ' ' B' ' 53' ' ' THR . 26.8 mm -132.54 120.82 43.66 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.365 179.273 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.766 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 20.9 p90 -125.51 -175.93 3.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.372 -179.584 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t -96.57 113.68 31.54 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-O 120.861 0.362 . . . . 0.0 111.54 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.562 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 21.7 tptp -66.47 -40.71 89.49 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.786 179.136 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.446 ' HG3' ' HB2' ' A' ' 17' ' ' ARG . 2.1 pt-20 179.92 172.83 0.99 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.961 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' ILE . . . . . 0.446 ' CG2' ' HB3' ' B' ' 33' ' ' ALA . 2.7 mt -133.75 137.47 52.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.184 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.977 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.59 149.88 34.76 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.157 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -75.51 150.0 38.27 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.824 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 57.36 37.4 27.99 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.026 -179.42 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.95 174.31 5.96 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.825 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.501 HD11 ' HA ' ' A' ' 7' ' ' LYS . 42.5 mt -58.62 -41.91 86.99 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.176 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.52 ' HB1' ' HB ' ' B' ' 39' ' ' ILE . . . -61.14 -46.71 89.45 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.218 179.673 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.13 -38.68 83.82 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.076 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.87 -39.32 51.51 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.895 179.629 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -63.09 -35.9 81.81 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.386 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.75 35.18 84.94 Favored Glycine 0 C--N 1.334 0.456 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.419 -179.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.693 ' CB ' HG13 ' A' ' 3' ' ' VAL . 3.0 m-80 -121.65 -53.5 1.98 Allowed 'General case' 0 C--N 1.334 -0.082 0 CA-C-O 120.606 0.241 . . . . 0.0 110.911 -179.687 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 39' ' ' ILE . . . . . 0.703 HD11 HD21 ' A' ' 5' ' ' LEU . 3.3 mp -72.41 123.22 26.56 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.817 179.653 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -128.17 142.9 51.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.823 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.18 119.45 6.88 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.66 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.81 4.37 51.77 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 120.95 -0.643 . . . . 0.0 113.178 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.04 130.19 39.34 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 117.138 0.469 . . . . 0.0 110.628 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 22.1 t -84.66 104.22 12.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.794 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' VAL . . . . . 0.594 HG22 ' CG1' ' B' ' 76' ' ' VAL . 21.6 t -81.84 137.76 20.66 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.272 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.67 -39.33 4.34 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.163 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 6.2 mtpp -137.71 157.61 46.1 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.881 0.372 . . . . 0.0 111.543 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 20.6 mt -143.31 123.04 8.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.501 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 52.95 36.54 22.15 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.457 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.77 35.89 44.22 Favored Glycine 0 C--N 1.335 0.5 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.731 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.7 132.4 17.89 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.517 0.199 . . . . 0.0 110.599 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.565 HG12 ' H ' ' B' ' 54' ' ' GLU . 24.0 t -76.33 136.28 25.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.808 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.405 ' HB ' HG13 ' B' ' 22' ' ' ILE . 0.1 OUTLIER -118.27 34.64 5.09 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.187 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 54' ' ' GLU . . . . . 0.565 ' H ' HG12 ' B' ' 52' ' ' VAL . 0.1 OUTLIER -95.55 142.74 27.52 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.188 179.201 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 55' ' ' ASN . . . . . 0.614 ' OD1' ' HB1' ' B' ' 19' ' ' ALA . 3.9 m-20 65.68 12.74 8.5 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.856 -179.652 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -101.52 175.13 5.67 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.731 0.3 . . . . 0.0 110.866 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 3.8 m -81.91 147.53 29.23 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.715 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.448 HD22 ' O ' ' A' ' 55' ' ' ASN . 14.5 tp -56.04 -29.77 60.94 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.837 179.632 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.66 -40.02 95.8 Favored 'General case' 0 CA--C 1.527 0.092 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.867 179.48 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -55.33 -47.2 76.02 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.454 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.54 -37.65 76.12 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.418 179.105 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' B' ' 63' ' ' THR . 0.0 OUTLIER -64.99 -36.99 86.19 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.424 179.201 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 63' ' ' THR . . . . . 0.406 ' N ' ' HG3' ' B' ' 62' ' ' LYS . 0.2 OUTLIER -63.96 -41.7 97.5 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 179.656 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.33 -34.06 66.2 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.73 0.3 . . . . 0.0 110.852 179.477 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 65' ' ' ILE . . . . . 0.54 ' HA ' HD11 ' B' ' 72' ' ' LEU . 17.1 mt -78.63 -29.02 14.49 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.727 179.14 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -77.99 -45.04 24.91 Favored 'General case' 0 CA--C 1.53 0.173 0 CA-C-O 120.77 0.319 . . . . 0.0 110.93 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.75 -17.4 64.59 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.053 -0.521 . . . . 0.0 112.303 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 68' ' ' SER . . . . . 0.401 ' CB ' ' HG ' ' B' ' 72' ' ' LEU . 58.2 p -56.7 104.32 0.15 Allowed 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 121.007 0.432 . . . . 0.0 111.024 -179.642 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -65.83 -44.59 85.1 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.85 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -146.94 -64.59 0.01 OUTLIER Glycine 0 C--N 1.335 0.504 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.713 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -95.6 136.74 35.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.841 0.353 . . . . 0.0 110.995 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.714 HD12 ' CE2' ' A' ' 14' ' ' TYR . 0.4 OUTLIER -118.08 138.76 52.02 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.268 -179.729 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 6.0 mtpt -121.03 135.81 55.12 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.078 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 12.8 mtp -137.67 124.99 21.81 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 21.9 t -100.3 120.96 50.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.937 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.594 ' CG1' HG22 ' B' ' 45' ' ' VAL . 12.6 m -129.31 165.67 28.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 120.778 0.323 . . . . 0.0 111.418 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -152.94 122.84 6.93 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.103 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 19.2 ttt-85 -116.93 -50.81 2.58 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.836 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -94.84 125.76 39.71 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.856 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -136.38 -50.71 0.69 Allowed 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.078 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 2.2 mt -74.0 -67.25 0.62 Allowed 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.931 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.102 -0.951 . . . . 0.0 111.125 -179.915 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 120.581 0.229 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.2 ttmm -129.19 138.42 51.72 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.314 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.702 HG13 ' CB ' ' B' ' 38' ' ' ASN . 41.3 t -117.59 133.2 65.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.923 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.4 m -129.35 117.24 20.31 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 120.823 0.344 . . . . 0.0 111.162 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 76.4 mt -115.49 155.74 26.96 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.757 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 38.9 t -126.46 102.69 10.19 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 CA-C-O 120.739 0.304 . . . . 0.0 111.074 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.459 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 1.1 ttmm -78.69 142.72 36.9 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.178 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.6 t -97.18 -176.57 3.57 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.149 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? -59.89 -57.05 14.56 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.062 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.1 mttm -157.5 164.53 37.3 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.892 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.4 t30 60.25 35.12 20.91 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.527 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -163.1 57.53 0.19 Allowed 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.043 0.449 . . . . 0.0 110.627 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.83 165.36 25.05 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.951 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.772 ' CE2' HD12 ' B' ' 72' ' ' LEU . 69.3 m-85 -60.2 -34.05 73.08 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.361 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.86 29.37 61.72 Favored Glycine 0 C--N 1.335 0.523 0 C-N-CA 121.068 -0.587 . . . . 0.0 113.027 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.755 HD23 ' HB3' ' A' ' 14' ' ' TYR . 3.1 pp -111.48 123.96 51.3 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.859 0.361 . . . . 0.0 110.857 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.546 ' O ' HG13 ' B' ' 24' ' ' VAL . 0.2 OUTLIER -85.05 145.47 27.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.486 179.847 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.587 HD21 ' CG2' ' B' ' 22' ' ' ILE . 0.1 OUTLIER -131.72 163.58 27.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.069 0.461 . . . . 0.0 111.711 -179.897 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.616 ' HB3' ' CZ ' ' B' ' 23' ' ' PHE . . . -158.76 177.41 11.21 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.183 -179.556 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.456 ' HB3' HD13 ' B' ' 58' ' ' LEU . 80.4 p -139.46 153.74 47.61 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 120.874 0.368 . . . . 0.0 111.516 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -119.53 175.14 5.99 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.468 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.717 ' CG2' HD11 ' B' ' 18' ' ' LEU . 27.8 mm -129.08 137.66 56.56 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-O 120.73 0.3 . . . . 0.0 111.397 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.445 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 10.8 p90 -149.01 178.8 8.38 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.379 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.5 t -104.02 122.17 56.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.247 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.498 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 10.5 tptt -76.58 -35.39 58.19 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.27 179.615 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.446 ' O ' HD13 ' A' ' 27' ' ' ILE . 0.7 OUTLIER -172.68 175.46 3.43 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.916 0.389 . . . . 0.0 111.321 -179.775 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.58 HD11 ' C ' ' A' ' 40' ' ' GLN . 5.8 mm -123.3 131.71 72.69 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.495 179.179 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t -76.34 138.68 40.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.8 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.57 143.21 54.96 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 t0 59.19 37.67 23.8 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.6 p -110.58 177.2 4.76 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.931 0.396 . . . . 0.0 111.164 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.733 HD12 ' HA ' ' B' ' 14' ' ' TYR . 21.7 mt -63.86 -34.4 77.85 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.106 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.679 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -65.86 -34.25 77.72 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.773 -0.194 . . . . 0.0 111.198 179.476 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.43 -52.16 59.48 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.35 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.78 -35.18 72.45 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.097 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -61.56 -35.92 79.14 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.089 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.18 31.5 81.04 Favored Glycine 0 C--N 1.335 0.475 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.978 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.496 ' HB3' HG22 ' B' ' 3' ' ' VAL . 29.1 m-20 -123.55 -44.01 2.13 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.706 0.253 . . . . 0.0 111.299 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.94 HD11 HD21 ' B' ' 5' ' ' LEU . 2.6 mp -83.87 127.43 39.78 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.989 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.58 ' C ' HD11 ' A' ' 27' ' ' ILE . 1.7 mp0 -137.76 169.22 18.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.939 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -74.21 127.17 32.27 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.666 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.11 -20.93 39.24 Favored Glycine 0 CA--C 1.522 0.491 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.457 -179.251 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -54.02 138.18 37.92 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.683 0.278 . . . . 0.0 111.249 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.0 t -101.99 99.61 8.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.925 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.0 t -74.45 128.29 36.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.9 tp -103.29 -44.6 5.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.422 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.585 ' HG2' HG22 ' A' ' 52' ' ' VAL . 23.3 mttt -133.27 153.1 51.86 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.857 0.361 . . . . 0.0 111.81 -179.339 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.483 ' HB ' HD13 ' A' ' 64' ' ' LEU . 4.5 mp -139.35 123.33 19.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.409 179.134 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 57.61 30.54 18.95 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.13 -179.259 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 83.26 32.7 24.97 Favored Glycine 0 C--N 1.337 0.621 0 C-N-CA 120.981 -0.628 . . . . 0.0 113.217 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -148.36 129.44 14.51 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 117.084 0.442 . . . . 0.0 111.053 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.681 HG12 ' H ' ' A' ' 54' ' ' GLU . 20.8 t -74.49 138.78 20.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.694 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.453 ' HA ' ' HE3' ' A' ' 56' ' ' MET . 0.9 OUTLIER -112.33 24.3 12.7 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 179.836 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.681 ' H ' HG12 ' A' ' 52' ' ' VAL . 5.7 tt0 -82.6 144.08 30.57 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 179.043 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.7 m120 64.78 14.31 9.07 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.582 -179.31 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.453 ' HE3' ' HA ' ' A' ' 53' ' ' THR . 1.5 ttm -107.57 165.77 11.16 Favored 'General case' 0 CA--C 1.53 0.212 0 CA-C-O 120.796 0.331 . . . . 0.0 111.138 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 51.7 m -74.31 143.36 45.0 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.715 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.533 HD13 ' HB3' ' B' ' 20' ' ' SER . 25.2 tp -56.26 -32.65 64.71 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.029 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.07 -39.34 93.86 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.402 179.406 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -55.11 -44.59 75.12 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.006 179.238 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.91 -38.99 73.62 Favored 'General case' 0 CA--C 1.527 0.096 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.979 179.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.7 ' HA ' HD12 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -67.92 -35.98 79.38 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.642 179.432 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.2 m -62.67 -43.99 97.39 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.81 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.483 HD13 ' HB ' ' A' ' 48' ' ' ILE . 5.9 mt -56.39 -37.28 69.91 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.171 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.7 HD12 ' HA ' ' A' ' 62' ' ' LYS . 17.1 mt -69.84 -32.2 51.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.335 178.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -74.18 -43.38 57.49 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.731 0.301 . . . . 0.0 110.7 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -66.86 -18.66 65.49 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.919 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.454 ' OG ' ' HG ' ' A' ' 72' ' ' LEU . 63.0 m -57.92 110.7 0.97 Allowed 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.569 0.223 . . . . 0.0 110.924 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.36 -56.4 20.73 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.129 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -134.04 -79.63 0.13 Allowed Glycine 0 C--N 1.335 0.498 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.352 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.416 ' HG2' HG22 ' B' ' 6' ' ' VAL . 4.3 mtmt -79.22 145.52 33.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.739 0.304 . . . . 0.0 110.912 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.694 HD11 ' HA ' ' A' ' 65' ' ' ILE . 0.7 OUTLIER -123.27 118.53 27.78 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.885 179.872 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.451 ' HD3' HG23 ' B' ' 4' ' ' THR . 0.9 OUTLIER -94.76 135.61 36.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.492 179.775 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 11.3 mtp -140.69 123.63 16.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.838 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 26.3 t -98.06 123.7 50.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.658 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 24.1 t -120.04 152.5 22.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.888 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.27 153.98 17.76 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.675 0.274 . . . . 0.0 110.777 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -111.73 -81.65 0.59 Allowed 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.773 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -151.96 37.49 0.56 Allowed 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 120.914 0.388 . . . . 0.0 110.84 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -73.79 150.52 41.01 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.107 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.52 122.49 22.27 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.113 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 . . . . . 0 C--O 1.251 1.137 0 CA-C-O 118.457 -0.783 . . . . 0.0 110.695 179.896 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 20.7 m . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 120.671 0.272 . . . . 0.0 111.288 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -110.89 124.67 52.52 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.883 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' VAL . . . . . 0.796 HG11 HG13 ' A' ' 39' ' ' ILE . 21.7 t -111.94 131.44 63.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.934 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.451 HG23 ' HD3' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -128.95 115.13 17.36 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.774 0.321 . . . . 0.0 111.157 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.94 HD21 HD11 ' A' ' 39' ' ' ILE . 3.2 mm? -107.11 157.48 17.81 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.715 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 6' ' ' VAL . . . . . 0.416 HG22 ' HG2' ' A' ' 71' ' ' LYS . 12.1 t -129.92 100.1 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.137 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.982 179.597 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.533 ' HB2' ' CZ ' ' B' ' 14' ' ' TYR . 0.5 OUTLIER -75.83 127.21 32.53 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.994 179.913 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 41.8 m -106.2 140.47 39.1 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.924 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 24.8 mtt180 -85.86 57.69 4.62 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 121.049 0.452 . . . . 0.0 110.891 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 33.0 tttp -137.22 -80.8 0.37 Allowed 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.18 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -158.12 43.88 0.3 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.897 0.38 . . . . 0.0 111.093 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -137.66 102.04 4.64 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.241 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -93.67 165.95 12.46 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.714 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' TYR . . . . . 0.733 ' HA ' HD12 ' A' ' 32' ' ' LEU . 59.6 m-85 -58.67 -42.41 88.41 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.349 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.74 51.92 49.47 Favored Glycine 0 CA--C 1.522 0.485 0 C-N-CA 121.189 -0.529 . . . . 0.0 113.203 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.695 HD23 ' HB3' ' B' ' 14' ' ' TYR . 3.3 pp -125.66 124.68 41.67 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 120.774 0.321 . . . . 0.0 110.979 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.498 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -84.38 109.66 18.02 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.437 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.717 HD11 ' CG2' ' A' ' 22' ' ' ILE . 0.2 OUTLIER -97.0 142.97 28.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.751 -179.229 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.45 ' HB2' ' HB2' ' A' ' 25' ' ' LYS . . . -142.83 175.18 10.02 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.077 179.463 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.533 ' HB3' HD13 ' A' ' 58' ' ' LEU . 99.4 p -143.37 151.31 40.28 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.089 0.471 . . . . 0.0 112.031 -179.508 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -118.07 174.8 6.0 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.799 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.587 ' CG2' HD21 ' A' ' 18' ' ' LEU . 32.1 mm -130.44 138.71 53.14 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.333 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.616 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 12.4 p90 -149.2 174.78 12.0 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.348 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.546 HG13 ' O ' ' A' ' 17' ' ' ARG . 41.4 t -95.06 123.64 47.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.845 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.541 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 12.1 tptp -75.71 -40.74 55.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.746 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -175.88 176.23 1.85 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.817 0.342 . . . . 0.0 110.972 -179.39 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 3.7 mp -136.88 134.12 48.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.808 179.165 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 11.7 t -83.69 148.48 27.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -72.56 154.78 40.62 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.912 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 58.15 32.41 21.98 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.973 -179.443 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 60.9 m -112.57 166.58 11.2 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 14' ' ' TYR . 22.1 mt -57.18 -41.18 78.78 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.976 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.457 ' HB1' ' HB ' ' B' ' 39' ' ' ILE . . . -66.57 -44.63 81.74 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.982 179.321 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.32 -39.92 92.3 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.004 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.62 -41.45 60.38 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.707 179.342 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -62.1 -33.67 74.88 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.414 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.78 34.92 88.79 Favored Glycine 0 C--N 1.335 0.494 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.799 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.702 ' CB ' HG13 ' A' ' 3' ' ' VAL . 2.2 m-80 -116.12 -41.1 3.2 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 120.468 0.175 . . . . 0.0 111.419 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 39' ' ' ILE . . . . . 0.677 HD11 HG11 ' A' ' 3' ' ' VAL . 29.9 mm -86.82 125.45 40.84 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-O 120.71 0.291 . . . . 0.0 111.33 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -132.11 157.32 44.54 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -60.32 120.72 10.39 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.83 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.52 -14.13 46.82 Favored Glycine 0 CA--C 1.523 0.552 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.899 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -54.03 126.66 23.46 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.933 0.366 . . . . 0.0 111.125 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.9 t -99.44 106.17 18.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' VAL . . . . . 0.583 HG11 ' CD1' ' B' ' 48' ' ' ILE . 22.0 t -82.94 136.3 23.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-O 121.049 0.452 . . . . 0.0 111.462 -179.676 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.759 HD23 ' HG3' ' B' ' 47' ' ' LYS . 6.2 tt -109.65 -40.1 4.94 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.48 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 47' ' ' LYS . . . . . 0.759 ' HG3' HD23 ' B' ' 46' ' ' LEU . 24.7 mtpp -134.82 148.22 50.13 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -179.349 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.639 ' HB ' HD22 ' B' ' 64' ' ' LEU . 8.1 mm -123.52 119.0 56.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.628 179.213 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 41.11 38.74 0.77 Allowed 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.136 0.574 . . . . 0.0 112.01 -179.248 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 87.21 37.77 8.13 Favored Glycine 0 C--N 1.336 0.582 0 C-N-CA 120.952 -0.642 . . . . 0.0 113.286 179.642 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.25 121.01 8.09 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.977 0.389 . . . . 0.0 110.616 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.677 HG12 ' H ' ' B' ' 54' ' ' GLU . 23.1 t -66.5 140.33 19.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.518 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.449 ' CG2' ' HB2' ' B' ' 61' ' ' ALA . 0.2 OUTLIER -121.04 24.33 10.2 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.726 -179.526 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 54' ' ' GLU . . . . . 0.677 ' H ' HG12 ' B' ' 52' ' ' VAL . 1.5 tt0 -97.9 148.1 23.78 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.822 0.344 . . . . 0.0 110.312 178.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 55' ' ' ASN . . . . . 0.44 ' O ' HD22 ' A' ' 58' ' ' LEU . 5.5 m-20 70.24 1.29 3.5 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.354 -179.66 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.19 168.23 9.2 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.744 0.307 . . . . 0.0 110.966 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 7.3 m -72.43 145.78 47.39 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.844 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.456 HD13 ' HB3' ' A' ' 20' ' ' SER . 39.0 tp -54.22 -30.21 49.22 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.943 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.22 -44.07 97.87 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.57 179.567 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -54.96 -45.43 74.94 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.228 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.449 ' HB2' ' CG2' ' B' ' 53' ' ' THR . . . -62.28 -39.57 93.38 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.997 178.548 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 62' ' ' LYS . . . . . 0.442 ' HG3' ' N ' ' B' ' 63' ' ' THR . 0.0 OUTLIER -62.72 -31.89 72.89 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.478 179.058 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 63' ' ' THR . . . . . 0.442 ' N ' ' HG3' ' B' ' 62' ' ' LYS . 0.2 OUTLIER -71.64 -39.18 70.56 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.89 179.506 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.639 HD22 ' HB ' ' B' ' 48' ' ' ILE . 1.2 mt -54.98 -37.46 66.57 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.496 179.602 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 34.0 mt -69.86 -32.03 50.34 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.649 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.46 -45.47 59.38 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.665 0.269 . . . . 0.0 110.747 179.497 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.49 -25.95 66.45 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.364 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 68' ' ' SER . . . . . 0.542 ' CB ' ' HG ' ' B' ' 72' ' ' LEU . 2.3 m -74.52 84.92 2.03 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.911 0.386 . . . . 0.0 110.607 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -72.56 -32.05 65.75 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.64 -179.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -114.89 -107.05 2.65 Favored Glycine 0 C--N 1.337 0.601 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.758 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.76 150.01 36.25 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 120.853 0.358 . . . . 0.0 111.358 -179.601 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.772 HD12 ' CE2' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -126.95 131.02 51.19 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.791 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 49.5 mttt -119.26 133.39 55.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.244 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 8.6 mtp -139.42 145.6 39.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.963 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 24.8 t -113.72 110.92 33.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.559 179.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 5.2 m -100.73 163.11 3.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.237 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.049 179.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.25 152.9 18.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.13 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -145.04 155.62 43.46 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 179.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 4.7 t0 72.31 144.57 0.07 Allowed 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.329 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -165.28 -48.62 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.439 179.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 12.6 mt 68.43 136.94 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.002 0.43 . . . . 0.0 111.509 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 . . . . . 0 C--O 1.251 1.144 0 CA-C-O 118.327 -0.844 . . . . 0.0 110.735 179.825 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 42.7 mttm . . . . . 0 CA--C 1.528 0.116 0 CA-C-O 120.661 0.267 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.836 HG13 ' HB3' ' B' ' 38' ' ' ASN . 19.4 t -107.04 113.93 44.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.247 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.508 ' C ' HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -116.94 123.2 46.4 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.221 179.877 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.721 HD21 HG12 ' A' ' 3' ' ' VAL . 3.0 mm? -121.63 160.27 24.74 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.781 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.459 ' O ' HD22 ' B' ' 32' ' ' LEU . 11.1 t -128.21 102.72 8.86 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.15 0 CA-C-O 120.855 0.359 . . . . 0.0 111.343 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.453 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 2.0 ttmt . . . . . 0 N--CA 1.464 0.275 0 CA-C-O 121.282 0.563 . . . . 0.0 110.818 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 . . . . . 0 N--CA 1.463 0.198 0 CA-C-O 120.916 0.389 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.676 ' HB3' HD23 ' A' ' 16' ' ' LEU . 59.4 m-85 -65.58 -31.56 72.67 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.424 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.12 48.47 73.82 Favored Glycine 0 C--N 1.338 0.667 0 C-N-CA 121.117 -0.564 . . . . 0.0 112.741 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.676 HD23 ' HB3' ' A' ' 14' ' ' TYR . 3.2 pp -118.04 124.05 47.16 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.782 0.325 . . . . 0.0 110.976 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.493 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 1.1 mmt180 -75.42 111.93 11.21 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.445 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.795 HD11 HG23 ' B' ' 22' ' ' ILE . 0.6 OUTLIER -99.77 133.57 43.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.431 -179.396 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.64 ' N ' HD13 ' A' ' 18' ' ' LEU . . . -134.45 175.7 9.29 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.653 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.8 p -141.57 151.9 43.6 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.002 0.43 . . . . 0.0 111.826 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.411 ' HD2' ' CE1' ' B' ' 23' ' ' PHE . 0.2 OUTLIER -119.04 177.81 4.73 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.578 179.614 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.774 ' CG2' HD11 ' B' ' 18' ' ' LEU . 29.3 mm -132.47 140.77 46.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.814 0.34 . . . . 0.0 111.203 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.487 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 12.5 p90 -149.41 176.42 10.6 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.363 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.512 HG21 HG23 ' A' ' 39' ' ' ILE . 26.2 t -102.75 106.86 20.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.866 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.523 ' HB2' ' HB2' ' B' ' 19' ' ' ALA . 6.0 tptp -59.45 -35.71 74.57 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.304 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -175.11 175.21 2.31 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.94 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.752 HD12 ' HG3' ' A' ' 41' ' ' GLU . 2.4 mp -130.65 137.46 56.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.923 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.7 m -77.4 148.88 35.26 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.842 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.0 155.45 34.95 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.836 0.35 . . . . 0.0 111.25 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 54.05 34.61 20.24 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.179 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.2 p -109.41 173.12 6.47 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.911 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.414 ' HB2' ' HA ' ' B' ' 14' ' ' TYR . 12.0 mt -60.85 -37.03 80.69 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.795 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.437 ' CB ' HD13 ' A' ' 39' ' ' ILE . . . -62.66 -45.78 91.24 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.044 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.69 -39.25 90.78 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.183 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -74.23 -39.22 63.21 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.731 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -68.26 -35.03 77.26 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.348 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.31 44.81 92.95 Favored Glycine 0 C--N 1.336 0.532 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.585 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.61 ' CB ' HG13 ' B' ' 3' ' ' VAL . 2.5 m-80 -123.78 -46.39 1.99 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.481 0.182 . . . . 0.0 111.418 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.899 HD11 HD21 ' B' ' 5' ' ' LEU . 3.6 mp -83.5 124.24 39.45 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.138 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.521 ' C ' HD11 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -118.02 155.97 29.38 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.884 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.752 ' HG3' HD12 ' A' ' 27' ' ' ILE . 1.7 mp0 -61.33 110.8 1.52 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.725 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.49 4.95 43.12 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 121.002 -0.618 . . . . 0.0 113.106 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.77 131.99 47.1 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.916 0.358 . . . . 0.0 110.934 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 30.9 t -93.08 115.18 31.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.925 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.406 HG22 ' CG1' ' A' ' 76' ' ' VAL . 21.9 t -91.27 136.81 23.27 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.386 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.6 mp -112.14 -39.6 4.42 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.179 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -132.47 151.95 51.71 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.84 0.353 . . . . 0.0 111.341 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.417 HG23 ' HG3' ' A' ' 74' ' ' MET . 38.5 mt -140.43 124.0 17.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.608 179.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 57.99 31.84 21.16 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.267 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.69 32.79 40.1 Favored Glycine 0 C--N 1.337 0.607 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.736 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -144.02 137.86 27.96 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.714 0.257 . . . . 0.0 110.672 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.54 HG12 ' H ' ' A' ' 54' ' ' GLU . 17.9 t -62.93 145.74 13.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.719 HG22 HG13 ' A' ' 22' ' ' ILE . 1.4 m -128.52 34.86 4.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.331 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.54 ' H ' HG12 ' A' ' 52' ' ' VAL . 0.3 OUTLIER -103.74 144.0 32.05 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.709 0.29 . . . . 0.0 110.319 179.269 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 67.91 7.52 5.83 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.868 -179.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -93.29 159.83 15.09 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.757 0.313 . . . . 0.0 111.005 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.3 m -77.25 148.45 35.77 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.804 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.436 HD22 ' O ' ' B' ' 55' ' ' ASN . 32.7 tp -55.19 -30.23 59.5 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.964 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.71 -43.13 90.08 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.978 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.91 -41.01 86.24 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.829 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.33 -37.08 74.41 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.612 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.3 mmtt -65.11 -35.91 82.62 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.503 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.71 -43.79 92.31 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.446 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.12 -35.56 64.79 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.739 0.304 . . . . 0.0 110.491 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.633 ' HA ' HD11 ' A' ' 72' ' ' LEU . 22.7 mt -71.72 -32.47 45.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.698 179.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -75.88 -37.95 58.35 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.773 0.321 . . . . 0.0 110.846 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -59.87 -33.34 71.69 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.206 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.6 114.86 2.68 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.816 0.341 . . . . 0.0 111.538 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.78 -35.79 64.98 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.09 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -149.47 -67.51 0.01 OUTLIER Glycine 0 C--N 1.334 0.449 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.731 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.545 ' HG3' HG13 ' B' ' 6' ' ' VAL . 0.0 OUTLIER -87.5 128.52 35.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.594 0.235 . . . . 0.0 111.315 -179.705 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.741 HD12 ' CE2' ' B' ' 14' ' ' TYR . 0.6 OUTLIER -113.93 124.14 51.46 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.916 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.495 ' HG2' HG23 ' B' ' 4' ' ' THR . 22.6 mttm -102.22 138.84 38.63 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.83 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.417 ' HG3' HG23 ' A' ' 48' ' ' ILE . 9.0 mtp -146.5 119.66 8.87 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.839 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 22.3 t -98.61 111.26 27.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.692 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.406 ' CG1' HG22 ' A' ' 45' ' ' VAL . 10.3 m -106.71 170.23 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.437 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.234 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.379 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 8.6 m . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 120.743 0.306 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -99.02 124.97 44.39 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.004 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' VAL . . . . . 0.61 HG13 ' CB ' ' A' ' 38' ' ' ASN . 24.4 t -103.61 125.08 58.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.713 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . 0.495 HG23 ' HG2' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -128.89 109.73 11.51 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.18 -179.883 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.899 HD21 HD11 ' A' ' 39' ' ' ILE . 3.2 mm? -100.0 158.33 15.9 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.651 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . 0.545 HG13 ' HG3' ' A' ' 71' ' ' LYS . 15.8 t -135.51 98.65 2.1 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 CA-C-O 120.962 0.41 . . . . 0.0 111.228 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.405 ' HA ' HD11 ' A' ' 32' ' ' LEU . 12.5 ttmt . . . . . 0 C--N 1.332 -0.168 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.594 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 . . . . . 0 C--O 1.233 0.198 0 CA-C-O 120.664 0.269 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . 0.768 ' HB3' HD23 ' B' ' 16' ' ' LEU . 49.1 m-85 -58.72 -42.77 89.48 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.025 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 51.4 53.86 26.46 Favored Glycine 0 C--N 1.337 0.602 0 C-N-CA 121.306 -0.473 . . . . 0.0 112.995 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.768 HD23 ' HB3' ' B' ' 14' ' ' TYR . 2.2 pp -119.21 117.94 29.98 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 120.845 0.355 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.475 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -71.7 114.96 10.33 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.544 179.893 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.774 HD11 ' CG2' ' A' ' 22' ' ' ILE . 0.3 OUTLIER -98.88 137.33 37.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.577 -179.372 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.558 ' N ' HD13 ' B' ' 18' ' ' LEU . . . -139.54 179.52 6.51 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.749 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 60.6 p -147.63 154.57 40.81 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.984 0.421 . . . . 0.0 111.753 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' HIS . . . . . 0.422 ' HD2' ' CE1' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -122.03 176.93 5.54 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.694 179.845 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.795 HG23 HD11 ' A' ' 18' ' ' LEU . 34.8 mm -131.22 138.3 53.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-O 120.828 0.347 . . . . 0.0 111.292 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.542 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 9.9 p90 -147.62 175.29 10.99 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.0 t -105.27 112.95 40.91 Favored 'Isoleucine or valine' 0 C--O 1.233 0.184 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.982 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.493 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 5.3 tptt -62.72 -38.78 91.82 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.107 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -174.57 174.13 2.76 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 2.9 mt -127.09 133.9 67.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.832 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 37.6 m -73.64 143.27 46.36 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -70.89 148.24 47.97 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.032 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 59.48 38.76 22.44 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.318 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.75 171.36 7.8 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.124 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.459 HD22 ' O ' ' A' ' 6' ' ' VAL . 45.3 mt -55.54 -44.59 76.89 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.212 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.9 -50.62 73.32 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.456 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.82 -36.6 83.73 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.107 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.32 -38.67 71.69 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.182 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.2 -34.29 59.28 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.47 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.84 43.73 65.2 Favored Glycine 0 C--N 1.334 0.438 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.911 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.836 ' HB3' HG13 ' A' ' 3' ' ' VAL . 5.5 m-80 -118.12 -44.15 2.71 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.628 0.214 . . . . 0.0 111.363 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . 0.799 HG12 HG11 ' A' ' 3' ' ' VAL . 28.2 mt -86.12 136.38 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.154 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -128.98 159.21 36.61 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -64.46 113.84 3.93 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.8 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.72 6.11 47.06 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 121.041 -0.6 . . . . 0.0 113.062 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.34 127.72 33.99 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 117.07 0.435 . . . . 0.0 110.783 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 31.7 t -90.56 101.94 12.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.184 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.691 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 25.9 t -80.6 132.67 31.15 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.454 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.6 HD23 ' HG3' ' B' ' 47' ' ' LYS . 8.4 tt -106.83 -42.88 4.82 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.892 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . 0.6 ' HG3' HD23 ' B' ' 46' ' ' LEU . 5.0 mtpm? -127.83 157.96 39.02 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.862 0.363 . . . . 0.0 111.79 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.523 HD12 HD13 ' B' ' 64' ' ' LEU . 22.2 mt -138.87 119.94 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.575 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' ASN . . . . . 0.521 HD22 HG22 ' B' ' 48' ' ' ILE . 14.2 p30 44.25 33.99 0.94 Allowed 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.967 -179.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 88.92 37.08 7.43 Favored Glycine 0 C--N 1.335 0.476 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.873 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -152.05 122.08 7.11 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.755 0.277 . . . . 0.0 110.814 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.4 HG22 ' HG3' ' B' ' 47' ' ' LYS . 40.0 t -71.05 139.24 20.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.786 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.466 HG21 HD12 ' B' ' 48' ' ' ILE . 0.6 OUTLIER -122.83 47.59 1.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.482 -179.879 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.66 142.31 35.62 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.824 0.345 . . . . 0.0 110.298 179.014 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . 0.436 ' O ' HD22 ' A' ' 58' ' ' LEU . 5.9 m-20 69.64 6.42 5.7 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.06 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 3.5 ttm -89.15 -172.22 3.57 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.723 0.297 . . . . 0.0 110.886 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 77.3 p -101.17 149.92 23.49 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.834 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.617 HD11 ' HA ' ' A' ' 19' ' ' ALA . 9.7 tp -56.4 -30.01 62.23 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.818 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -43.09 93.62 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.84 -41.16 86.26 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.754 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.57 -36.56 71.85 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.597 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -67.53 -34.89 78.01 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.627 179.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.27 -41.18 70.35 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.23 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.523 HD13 HD12 ' B' ' 48' ' ' ILE . 0.5 OUTLIER -55.17 -39.47 69.57 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.848 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 42.2 mt -68.8 -31.47 50.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.7 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -69.79 -41.14 75.48 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.746 0.308 . . . . 0.0 110.853 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -74.53 -25.25 59.2 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.597 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 1.2 m -73.92 73.16 1.62 Allowed 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.988 0.423 . . . . 0.0 110.547 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.05 83.99 7.38 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.839 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 140.29 -126.75 3.28 Favored Glycine 0 C--N 1.333 0.399 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.537 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -79.7 131.35 35.93 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.764 0.316 . . . . 0.0 111.154 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.648 HD12 ' CZ ' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -113.68 118.87 35.54 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.709 179.728 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 20.8 ttpp -117.62 105.95 12.59 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.984 0.421 . . . . 0.0 110.642 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -114.93 156.1 25.65 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.82 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 18.7 t -116.8 116.97 53.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 6.6 m -101.92 150.84 5.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.404 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? . . . . . 0 C--O 1.233 0.195 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.736 179.838 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.21 0 CA-C-O 120.839 0.352 . . . . 0.0 111.343 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.773 HG13 ' CB ' ' B' ' 38' ' ' ASN . 25.1 t -110.77 130.78 63.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.863 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.9 m -128.8 106.23 8.78 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 120.787 0.327 . . . . 0.0 111.011 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.845 HD11 HD11 ' B' ' 39' ' ' ILE . 32.5 mt -100.98 159.72 14.98 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.662 HG22 ' HG2' ' B' ' 71' ' ' LYS . 19.1 t -130.64 102.21 6.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.225 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.477 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.466 0.325 0 CA-C-O 120.869 0.366 . . . . 0.0 111.401 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.806 0.336 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.726 ' HB3' HD23 ' A' ' 16' ' ' LEU . 56.2 m-85 -66.43 -26.96 67.47 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.541 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.54 41.81 82.38 Favored Glycine 0 C--N 1.337 0.616 0 C-N-CA 121.339 -0.457 . . . . 0.0 113.27 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.726 HD23 ' HB3' ' A' ' 14' ' ' TYR . 2.7 pp -113.71 121.89 45.46 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-O 120.839 0.352 . . . . 0.0 110.933 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.451 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -82.91 109.81 17.36 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.744 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.619 HD11 HG23 ' B' ' 22' ' ' ILE . 0.4 OUTLIER -99.93 131.62 45.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 -179.678 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.56 ' HB3' ' CZ ' ' B' ' 23' ' ' PHE . . . -129.1 171.39 12.44 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.767 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.6 p -133.73 150.05 51.49 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 120.968 0.413 . . . . 0.0 111.727 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -113.18 178.12 4.39 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.876 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.625 ' CG2' HD11 ' B' ' 18' ' ' LEU . 21.4 mm -131.7 136.37 57.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-O 120.807 0.337 . . . . 0.0 111.614 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.519 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 18.3 p90 -149.5 179.6 7.84 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.47 HG21 HG23 ' A' ' 39' ' ' ILE . 26.3 t -107.76 116.25 50.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.033 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.503 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 8.4 tptm -62.93 -44.25 96.58 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.426 ' HG3' ' HB2' ' B' ' 17' ' ' ARG . 0.0 OUTLIER -174.6 175.04 2.57 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.881 0.372 . . . . 0.0 111.084 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.543 HD12 ' HG3' ' A' ' 41' ' ' GLU . 3.2 mp -129.79 143.5 40.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.141 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.8 t -80.56 149.79 29.82 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.344 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -81.04 147.53 30.11 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 60.02 35.59 21.46 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.231 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.5 m -113.72 179.45 3.96 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.875 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.472 HD12 ' CD1' ' B' ' 14' ' ' TYR . 40.6 mt -58.61 -38.43 77.97 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.777 179.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.516 ' CB ' HD13 ' A' ' 39' ' ' ILE . . . -68.47 -38.74 81.35 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.17 -45.62 92.49 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.126 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.77 -41.5 75.08 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.941 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -64.94 -37.89 89.15 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.318 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.12 37.26 94.62 Favored Glycine 0 C--N 1.335 0.496 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.504 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.617 ' CB ' HG13 ' B' ' 3' ' ' VAL . 0.9 OUTLIER -109.01 -54.81 2.48 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-O 120.514 0.197 . . . . 0.0 111.079 -179.752 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.516 HD13 ' CB ' ' A' ' 33' ' ' ALA . 3.4 mp -69.2 130.25 34.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.932 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -125.7 150.67 47.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.543 ' HG3' HD12 ' A' ' 27' ' ' ILE . 8.3 mt-10 -62.93 116.14 5.02 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.4 -12.66 51.35 Favored Glycine 0 CA--C 1.523 0.572 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.985 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -55.92 137.66 50.09 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.991 0.395 . . . . 0.0 111.256 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.8 t -100.12 109.2 24.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.9 t -86.9 133.57 29.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.439 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -98.71 -41.14 7.82 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.189 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.407 ' CG ' HG22 ' A' ' 52' ' ' VAL . 14.8 mttt -133.55 155.8 48.95 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.017 0.437 . . . . 0.0 111.699 -179.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.1 mt -139.14 120.91 16.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.514 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 58.22 31.18 20.48 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.443 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.76 33.58 24.14 Favored Glycine 0 C--N 1.334 0.47 0 C-N-CA 120.83 -0.7 . . . . 0.0 113.252 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -153.0 131.72 12.35 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.865 0.332 . . . . 0.0 110.803 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.718 HG12 ' H ' ' A' ' 54' ' ' GLU . 18.0 t -73.73 139.9 18.61 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.407 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.468 ' HA ' ' HE3' ' A' ' 56' ' ' MET . 0.8 OUTLIER -114.48 19.67 15.98 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.718 ' H ' HG12 ' A' ' 52' ' ' VAL . 1.9 tt0 -76.34 140.04 41.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.005 0.431 . . . . 0.0 110.518 179.511 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.56 ' O ' HD22 ' B' ' 58' ' ' LEU . 7.2 m-20 63.4 17.87 10.62 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.812 -179.337 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.468 ' HE3' ' HA ' ' A' ' 53' ' ' THR . 1.7 ttm -104.94 160.06 15.32 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.784 0.326 . . . . 0.0 110.817 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.0 t -64.98 137.39 57.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.441 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.654 HD11 ' HA ' ' B' ' 19' ' ' ALA . 11.9 tp -54.48 -35.15 62.77 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.747 0.308 . . . . 0.0 110.748 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.24 -39.42 94.56 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.882 179.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -58.89 -45.6 89.87 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.779 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.66 -39.01 72.98 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.928 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -63.61 -38.83 92.62 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.76 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.88 -43.23 85.93 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.53 -37.63 68.19 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.787 0.327 . . . . 0.0 110.33 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.512 HG23 HD11 ' A' ' 72' ' ' LEU . 33.4 mt -75.83 -30.89 21.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.831 179.193 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -65.57 -48.54 72.04 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.784 0.326 . . . . 0.0 110.78 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.0 ttp-105 -65.65 -28.92 69.45 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.247 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.427 ' CB ' ' HG ' ' A' ' 72' ' ' LEU . 4.3 m -65.41 95.51 0.21 Allowed 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.72 0.295 . . . . 0.0 110.888 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -120.64 47.81 1.72 Allowed 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.921 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -178.37 -62.31 0.07 OUTLIER Glycine 0 C--N 1.334 0.424 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.882 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -138.21 123.24 19.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.629 0.252 . . . . 0.0 110.775 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.756 HD12 ' CE2' ' B' ' 14' ' ' TYR . 0.4 OUTLIER -108.93 137.12 47.36 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.026 -179.905 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -125.4 134.11 52.26 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.803 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -137.16 150.32 47.86 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.958 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.6 t -121.45 112.62 36.11 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.089 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.416 HG12 ' N ' ' A' ' 77' ' ' GLN . 17.4 t -101.54 159.32 4.11 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.416 ' N ' HG12 ' A' ' 76' ' ' VAL . 3.5 tp60 . . . . . 0 C--O 1.233 0.226 0 CA-C-O 120.72 0.295 . . . . 0.0 111.073 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 120.733 0.302 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.31 124.04 49.21 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.894 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' VAL . . . . . 0.617 HG13 ' CB ' ' A' ' 38' ' ' ASN . 22.3 t -103.52 127.49 57.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.107 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 1.7 m -128.53 105.81 8.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.869 0.366 . . . . 0.0 110.743 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.486 HD11 HD11 ' A' ' 39' ' ' ILE . 73.0 mt -100.36 157.62 16.48 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.779 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 10.5 t -128.58 105.91 13.74 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-O 120.886 0.374 . . . . 0.0 111.315 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 1.9 ttmm . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.896 179.563 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 . . . . . 0 CA--C 1.531 0.245 0 CA-C-O 120.804 0.335 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . 0.756 ' CE2' HD12 ' A' ' 72' ' ' LEU . 25.5 m-85 -55.05 -37.45 66.72 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.253 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.76 46.36 93.54 Favored Glycine 0 C--N 1.337 0.601 0 C-N-CA 121.156 -0.545 . . . . 0.0 113.191 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.657 HD23 ' HB3' ' B' ' 14' ' ' TYR . 2.2 pp -117.2 119.78 36.25 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.849 0.357 . . . . 0.0 110.737 179.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.503 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -77.99 117.52 19.39 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.789 -179.761 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.625 HD11 ' CG2' ' A' ' 22' ' ' ILE . 0.2 OUTLIER -100.49 138.58 37.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.212 -179.564 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.654 ' HA ' HD11 ' A' ' 58' ' ' LEU . . . -140.13 179.09 6.83 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.399 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 57.7 p -143.76 157.99 43.99 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.922 0.392 . . . . 0.0 111.65 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' HIS . . . . . 0.479 ' O ' HD12 ' B' ' 22' ' ' ILE . 0.1 OUTLIER -118.92 178.24 4.56 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.722 179.899 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.619 HG23 HD11 ' A' ' 18' ' ' LEU . 1.0 OUTLIER -134.15 132.71 55.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.684 179.785 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 12.5 p90 -144.63 177.33 8.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.043 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -105.45 116.4 49.18 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.177 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.451 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 4.3 tptp -66.43 -44.88 81.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.966 179.539 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -176.95 174.26 1.75 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.896 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . 0.463 ' CG2' ' HB3' ' B' ' 33' ' ' ALA . 3.9 mp -125.07 135.5 63.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.74 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 39.2 t -83.89 148.45 26.94 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.251 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -69.72 156.59 38.75 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 58.98 36.64 24.53 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.924 -179.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 23.1 p -118.9 168.9 10.34 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.457 HD12 ' CD1' ' A' ' 14' ' ' TYR . 26.3 mt -62.53 -38.45 90.03 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.112 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.469 ' HB2' HD12 ' B' ' 39' ' ' ILE . . . -62.31 -41.13 98.27 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.61 0.243 . . . . 0.0 111.035 179.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.2 -42.78 96.5 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.107 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -71.02 -43.02 68.79 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.679 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -63.46 -37.22 86.46 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.312 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.1 30.42 77.71 Favored Glycine 0 C--N 1.335 0.508 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.816 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.773 ' CB ' HG13 ' A' ' 3' ' ' VAL . 10.7 m-80 -110.15 -33.21 6.73 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 111.578 0.214 . . . . 0.0 111.578 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . 0.845 HD11 HD11 ' A' ' 5' ' ' LEU . 26.4 mt -91.67 132.44 36.11 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-O 120.705 0.288 . . . . 0.0 111.133 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -130.97 162.68 29.21 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.024 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -67.71 124.33 22.97 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.819 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.19 -17.74 56.56 Favored Glycine 0 CA--C 1.521 0.424 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.917 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -54.21 120.3 6.3 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.936 0.368 . . . . 0.0 110.941 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 41.0 t -86.1 103.27 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.303 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . 0.443 HG11 HG12 ' B' ' 48' ' ' ILE . 19.9 t -71.56 108.81 3.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 CA-C-O 121.022 0.439 . . . . 0.0 111.331 -179.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.477 HD13 ' CG ' ' B' ' 77' ' ' GLN . 1.2 mp -74.43 -50.14 19.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.087 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 21.3 mttp -139.13 149.73 44.84 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.905 0.383 . . . . 0.0 111.241 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.556 HG23 ' HG3' ' B' ' 74' ' ' MET . 45.9 mt -131.56 122.7 50.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.529 179.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 57.74 35.13 25.25 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.837 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.95 33.71 44.92 Favored Glycine 0 C--N 1.337 0.601 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.988 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.63 131.05 19.76 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.737 0.268 . . . . 0.0 110.611 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.516 HG12 ' H ' ' B' ' 54' ' ' GLU . 17.4 t -61.71 139.4 20.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.162 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.612 ' O ' HD13 ' B' ' 22' ' ' ILE . 1.0 OUTLIER -115.09 36.29 3.96 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.092 179.81 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . 0.516 ' H ' HG12 ' B' ' 52' ' ' VAL . 1.2 tt0 -104.15 148.45 26.27 Favored 'General case' 0 N--CA 1.458 -0.049 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 178.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . 0.551 ' O ' HD22 ' A' ' 58' ' ' LEU . 6.4 p30 54.13 15.63 0.96 Allowed 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.15 -179.088 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -95.24 138.2 33.26 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.666 0.27 . . . . 0.0 110.432 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 4.6 m -56.73 146.64 25.2 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.978 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.56 HD22 ' O ' ' A' ' 55' ' ' ASN . 42.9 tp -53.87 -32.83 54.51 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.729 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.57 -38.8 84.59 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.608 179.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -57.51 -42.11 82.14 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.48 -39.51 76.59 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.935 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . 0.428 ' HA ' HD12 ' B' ' 65' ' ' ILE . 6.1 mttp -64.24 -39.51 94.11 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.486 179.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.85 -38.14 87.14 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.045 179.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.444 HD13 ' HB ' ' B' ' 48' ' ' ILE . 9.2 mt -55.73 -38.47 69.81 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.778 0.323 . . . . 0.0 110.296 179.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . 0.428 HD12 ' HA ' ' B' ' 62' ' ' LYS . 8.5 mt -74.58 -31.4 27.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.81 179.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -69.07 -52.19 31.05 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.01 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -58.83 -31.3 68.37 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.323 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . 0.408 ' CB ' ' HG ' ' B' ' 72' ' ' LEU . 2.0 m -60.45 116.15 4.1 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.213 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -60.93 -80.02 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.126 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -120.88 -67.25 0.27 Allowed Glycine 0 C--N 1.335 0.521 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.692 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . 0.662 ' HG2' HG22 ' A' ' 6' ' ' VAL . 33.5 mttt -77.73 129.3 35.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.702 0.287 . . . . 0.0 110.945 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.66 HD12 ' CZ ' ' A' ' 14' ' ' TYR . 0.6 OUTLIER -115.11 147.99 39.53 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.06 121.26 33.82 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.789 179.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.556 ' HG3' HG23 ' B' ' 48' ' ' ILE . 14.0 mtp -127.97 123.44 34.8 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.738 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 29.7 t -98.17 119.07 45.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.747 0.308 . . . . 0.0 111.113 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 28.0 m -112.77 170.19 4.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.479 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . 0.477 ' CG ' HD13 ' B' ' 46' ' ' LEU . 97.5 mm-40 . . . . . 0 CA--C 1.532 0.277 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.001 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.0 mttm . . . . . 0 C--O 1.233 0.207 0 CA-C-O 120.774 0.321 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.698 HG11 ' CG1' ' B' ' 39' ' ' ILE . 21.6 t -104.4 124.59 59.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.8 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.422 HG23 ' HG2' ' B' ' 73' ' ' LYS . 0.2 OUTLIER -128.23 108.51 10.66 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 120.846 0.355 . . . . 0.0 110.937 -179.779 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.673 ' CD2' HG12 ' A' ' 3' ' ' VAL . 3.5 mm? -103.45 160.41 14.74 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.794 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.3 t -128.77 99.69 5.09 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.977 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.46 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 1.5 ttmm . . . . . 0 N--CA 1.465 0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.081 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.774 0.321 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.747 ' CE2' HD12 ' B' ' 72' ' ' LEU . 76.0 m-85 -61.1 -38.16 85.34 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.363 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.36 41.1 53.52 Favored Glycine 0 C--N 1.336 0.564 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.817 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.848 HD22 HD13 ' B' ' 39' ' ' ILE . 2.4 pp -127.09 126.26 42.69 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.788 0.327 . . . . 0.0 110.911 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.426 ' CB ' ' HB3' ' B' ' 25' ' ' LYS . 1.6 mtt180 -83.03 117.09 22.58 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.457 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.726 HD11 ' CG2' ' B' ' 22' ' ' ILE . 0.3 OUTLIER -97.28 132.85 42.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.083 -179.695 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.547 ' HB3' ' CZ ' ' B' ' 23' ' ' PHE . . . -139.2 166.78 23.64 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.16 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 87.8 p -118.6 149.76 40.82 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.844 0.354 . . . . 0.0 111.226 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -115.62 174.92 5.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 34.6 mm -129.65 136.89 58.13 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.942 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.767 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 13.4 p90 -144.14 173.12 12.01 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.3 t -98.09 114.58 35.91 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.831 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.645 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 4.5 tttm -66.92 -38.97 87.2 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.511 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -179.56 178.54 0.66 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.919 0.39 . . . . 0.0 111.196 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.428 HG23 ' HB3' ' A' ' 33' ' ' ALA . 3.1 mp -128.73 144.38 38.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.983 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.4 t -84.58 158.51 20.88 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.902 0.382 . . . . 0.0 111.039 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -84.66 143.56 29.14 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.248 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 59.94 33.71 21.5 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.572 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.1 m -112.05 175.52 5.4 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.581 -0.282 . . . . 0.0 111.069 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' B' ' 14' ' ' TYR . 72.0 mt -55.26 -45.42 76.1 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.958 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.428 ' HB3' HG23 ' A' ' 27' ' ' ILE . . . -61.51 -45.0 96.04 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.216 179.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.3 -40.51 96.07 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.82 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -70.83 -43.18 69.11 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.745 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.422 ' CG ' HD23 ' B' ' 5' ' ' LEU . 0.5 OUTLIER -65.07 -40.86 95.27 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.187 179.717 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.53 32.72 82.47 Favored Glycine 0 C--N 1.334 0.464 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.541 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.646 ' HB3' HG13 ' B' ' 3' ' ' VAL . 2.7 m-80 -109.6 -32.38 7.13 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 111.478 0.177 . . . . 0.0 111.478 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.764 HG13 HG11 ' B' ' 3' ' ' VAL . 2.0 mt -93.1 134.89 29.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.315 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -123.5 139.56 53.89 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.602 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.421 ' N ' HD11 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -60.06 128.54 37.31 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.768 0.318 . . . . 0.0 110.712 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.44 -21.16 42.04 Favored Glycine 0 CA--C 1.521 0.439 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.714 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -56.41 148.88 17.99 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.829 0.347 . . . . 0.0 111.279 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.8 t -106.52 117.73 52.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.841 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.494 HG22 ' CG1' ' A' ' 76' ' ' VAL . 21.9 t -95.02 119.93 43.75 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.246 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.414 ' O ' HD23 ' A' ' 46' ' ' LEU . 2.8 tt -88.99 -45.33 9.74 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.99 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -124.14 151.77 43.57 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.992 0.425 . . . . 0.0 111.455 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 36.3 mt -139.59 121.57 16.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.509 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 59.51 35.44 22.76 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.392 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.3 28.89 63.05 Favored Glycine 0 C--N 1.336 0.573 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.821 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.71 145.98 37.2 Favored 'General case' 0 C--O 1.23 0.071 0 CA-C-N 116.673 0.237 . . . . 0.0 110.633 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.68 HG12 ' H ' ' A' ' 54' ' ' GLU . 21.7 t -77.4 138.16 20.98 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.616 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.68 19.83 14.33 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.674 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.68 ' H ' HG12 ' A' ' 52' ' ' VAL . 0.3 OUTLIER -82.15 150.52 27.39 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.298 179.098 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.6 p30 51.83 18.88 0.84 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.375 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.8 tpp -96.43 170.98 8.85 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.755 0.312 . . . . 0.0 110.78 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.0 m -80.0 143.46 34.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.739 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.762 HD13 ' HA ' ' B' ' 55' ' ' ASN . 0.7 OUTLIER -56.07 -34.71 66.22 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.697 179.614 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.78 -38.56 73.41 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.558 179.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -56.85 -45.2 82.56 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.77 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.63 -38.53 75.14 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.9 -36.36 84.12 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.522 179.182 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.15 -41.54 97.13 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.0 mt -54.17 -36.18 63.1 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.287 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.2 mt -66.79 -34.34 69.38 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.823 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -77.03 -45.59 26.69 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.64 0.257 . . . . 0.0 111.012 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.9 ttp85 -66.27 -14.8 62.55 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.834 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 70.2 m -51.94 114.18 1.22 Allowed 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.84 0.352 . . . . 0.0 111.206 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.25 78.47 0.98 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.497 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 76.8 -93.56 1.05 Allowed Glycine 0 C--N 1.334 0.418 0 C-N-CA 121.14 -0.552 . . . . 0.0 112.184 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.18 141.94 49.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.828 0.346 . . . . 0.0 111.468 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.668 HD12 ' CE2' ' B' ' 14' ' ' TYR . 0.6 OUTLIER -112.27 146.02 38.93 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.852 179.892 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -127.17 123.65 37.2 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.504 179.325 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 41.8 mtm -130.53 131.33 45.02 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.856 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.1 t -108.14 112.99 42.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.976 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.494 ' CG1' HG22 ' A' ' 45' ' ' VAL . 19.9 m -110.81 175.6 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.793 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 . . . . . 0 N--CA 1.463 0.191 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.012 -179.959 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.494 1.756 0 CA-C-O 120.747 0.308 . . . . 0.0 111.426 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.08 136.23 52.68 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.759 0.314 . . . . 0.0 110.862 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' VAL . . . . . 0.764 HG11 HG13 ' A' ' 39' ' ' ILE . 44.0 t -106.2 129.92 58.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.065 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.28 105.81 8.8 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.561 179.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.748 HD11 HD11 ' A' ' 39' ' ' ILE . 86.4 mt -98.4 160.74 14.08 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.85 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 21.9 t -124.44 101.68 9.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.06 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.549 ' HB2' ' CZ ' ' B' ' 14' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.463 0.186 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.072 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 . . . . . 0 CA--C 1.532 0.28 0 CA-C-O 120.887 0.375 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . 0.668 ' CE2' HD12 ' A' ' 72' ' ' LEU . 65.1 m-85 -59.21 -36.67 75.8 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.198 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.42 49.61 71.68 Favored Glycine 0 C--N 1.338 0.645 0 C-N-CA 121.235 -0.507 . . . . 0.0 112.885 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.625 HD13 HD13 ' B' ' 18' ' ' LEU . 2.7 pp -128.28 132.41 48.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.822 0.344 . . . . 0.0 111.162 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.645 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -88.84 127.76 35.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.344 179.481 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.625 HD13 HD13 ' B' ' 16' ' ' LEU . 0.6 OUTLIER -124.73 150.55 46.08 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.062 0.458 . . . . 0.0 111.469 -179.813 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.767 ' HB3' ' CZ ' ' A' ' 23' ' ' PHE . . . -145.7 178.45 8.14 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.956 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . 0.616 ' HB3' HD12 ' A' ' 58' ' ' LEU . 53.7 p -129.47 153.62 47.78 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.031 0.443 . . . . 0.0 111.708 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -123.48 -177.18 3.64 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.469 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.726 ' CG2' HD11 ' A' ' 18' ' ' LEU . 33.4 mm -128.33 140.63 48.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.107 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.547 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 4.9 p90 -149.43 179.21 8.13 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.052 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 19.3 t -108.62 117.51 54.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.101 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.426 ' HB3' ' CB ' ' A' ' 17' ' ' ARG . 5.7 tptt -60.48 -50.65 72.72 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.08 179.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -176.54 159.46 1.9 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.937 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . 0.753 HG21 ' HB3' ' B' ' 33' ' ' ALA . 3.6 mp -115.71 138.13 47.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.96 179.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 31.0 m -75.38 146.04 41.15 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -69.01 147.91 50.89 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.07 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 t70 59.98 41.45 17.51 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.028 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 23.6 p -114.02 176.62 4.96 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.623 HD12 ' HA ' ' A' ' 14' ' ' TYR . 13.3 mt -58.46 -37.6 75.79 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 179.56 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.753 ' HB3' HG21 ' B' ' 27' ' ' ILE . . . -69.23 -41.9 76.39 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.251 179.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.02 -38.78 76.85 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.091 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -78.7 -35.16 45.41 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.823 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -68.08 -43.52 78.35 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.303 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.29 38.37 53.66 Favored Glycine 0 C--N 1.334 0.45 0 C-N-CA 120.955 -0.641 . . . . 0.0 112.484 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.68 ' CB ' HG13 ' A' ' 3' ' ' VAL . 6.8 m-80 -122.82 -45.91 2.13 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.505 0.193 . . . . 0.0 111.339 -179.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . 0.848 HD13 HD22 ' A' ' 16' ' ' LEU . 19.0 mt -80.92 130.66 35.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.106 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -137.02 162.2 33.97 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.117 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -69.17 128.7 37.57 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.667 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 96.08 -20.44 50.05 Favored Glycine 0 CA--C 1.523 0.536 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.808 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -54.57 117.96 3.78 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.913 0.356 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.0 t -87.31 112.24 22.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.059 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . 0.437 HG11 HG12 ' B' ' 48' ' ' ILE . 20.3 t -86.41 114.97 26.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.164 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.46 -39.72 17.2 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.157 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 11.4 mtmt -131.27 153.69 49.28 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.182 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.494 ' HB ' HD13 ' B' ' 64' ' ' LEU . 30.2 mt -142.25 123.43 12.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.533 179.459 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 58.84 33.24 22.93 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.358 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.12 30.59 58.78 Favored Glycine 0 C--N 1.336 0.566 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.514 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 6.4 m -142.55 137.38 30.1 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.55 0.214 . . . . 0.0 110.609 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.487 HG12 ' H ' ' B' ' 54' ' ' GLU . 30.4 t -68.92 143.13 15.36 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.754 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.46 37.87 4.31 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.557 -179.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . 0.487 ' H ' HG12 ' B' ' 52' ' ' VAL . 0.1 OUTLIER -105.28 141.93 35.94 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.629 -0.26 . . . . 0.0 110.416 179.402 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . 0.762 ' HA ' HD13 ' A' ' 58' ' ' LEU . 0.5 OUTLIER 69.48 6.02 5.47 Favored 'General case' 0 CA--C 1.537 0.442 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.228 -179.841 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -95.21 161.38 14.13 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.966 0.412 . . . . 0.0 111.11 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 2.4 p -72.22 145.93 47.65 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.713 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 18.8 tp -55.92 -30.08 61.09 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.168 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.7 -38.86 92.69 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.738 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -59.99 -39.86 87.15 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.855 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.23 -39.36 82.48 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.546 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 15.1 mtmt -62.72 -36.62 83.59 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.291 179.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.84 -37.87 85.3 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.993 179.459 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.494 HD13 ' HB ' ' B' ' 48' ' ' ILE . 2.3 mt -55.13 -35.05 64.27 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.81 0.338 . . . . 0.0 110.761 179.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . 0.412 HG23 HD11 ' B' ' 72' ' ' LEU . 24.5 mt -75.9 -32.23 23.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.875 179.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -76.07 -48.3 21.32 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.223 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' ARG . . . . . 0.409 ' HG2' ' HA ' ' B' ' 64' ' ' LEU . 14.6 ptm180 -57.38 -24.55 56.07 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.477 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 11.7 t -50.8 110.94 0.47 Allowed 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.276 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.41 61.06 4.72 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.112 0.482 . . . . 0.0 110.502 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 104.4 -79.54 0.3 Allowed Glycine 0 C--N 1.335 0.505 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.679 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -84.82 133.05 34.34 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.764 0.316 . . . . 0.0 111.456 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.747 HD12 ' CE2' ' A' ' 14' ' ' TYR . 0.4 OUTLIER -108.08 141.91 39.06 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.673 179.514 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' LYS . . . . . 0.422 ' HG2' HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER -122.93 123.18 40.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.583 179.373 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 4.7 mtp -129.1 125.46 37.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.685 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 15.5 t -98.2 122.21 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.456 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.412 HG12 ' N ' ' B' ' 77' ' ' GLN . 14.3 t -100.25 159.29 3.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.555 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . 0.412 ' N ' HG12 ' B' ' 76' ' ' VAL . 13.7 tt0 . . . . . 0 C--O 1.233 0.225 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.794 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.53 0.208 0 CA-C-O 120.758 0.313 . . . . 0.0 111.086 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.764 HG22 ' HB3' ' B' ' 38' ' ' ASN . 15.6 t -115.4 128.35 72.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.99 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.3 m -128.82 113.98 15.97 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 120.766 0.317 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.695 HD21 HD11 ' B' ' 39' ' ' ILE . 2.7 mm? -110.89 158.36 18.82 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.97 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.579 HG22 ' HD2' ' B' ' 71' ' ' LYS . 20.8 t -135.3 101.06 2.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.993 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.525 ' HG3' ' HA2' ' B' ' 70' ' ' GLY . 2.2 ptpt . . . . . 0 CA--C 1.531 0.244 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.081 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.863 0.363 . . . . 0.0 111.304 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.911 ' CE2' HD12 ' B' ' 72' ' ' LEU . 14.5 m-85 -66.96 -30.08 70.11 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.93 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.84 47.41 89.01 Favored Glycine 0 C--N 1.335 0.501 0 C-N-CA 121.297 -0.478 . . . . 0.0 113.125 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.584 HD23 ' HB3' ' A' ' 14' ' ' TYR . 1.9 pp -116.56 120.57 39.14 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.925 0.393 . . . . 0.0 111.058 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.539 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -72.79 122.42 21.52 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.827 -179.899 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.47 HD23 ' CD1' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -102.14 140.05 36.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.449 -179.639 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.503 ' HB3' ' CZ ' ' B' ' 23' ' ' PHE . . . -146.37 172.17 13.91 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.154 179.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 90.5 p -139.3 152.7 47.44 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.991 0.424 . . . . 0.0 111.944 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.451 ' HD2' ' CE1' ' B' ' 23' ' ' PHE . 0.2 OUTLIER -123.75 -179.29 4.32 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.751 179.9 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.617 HG13 HG22 ' A' ' 53' ' ' THR . 27.3 mm -131.63 142.54 42.9 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.098 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.47 ' CE1' ' HD2' ' B' ' 21' ' ' HIS . 11.6 p90 -149.02 179.44 7.88 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.18 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.557 HG21 HG23 ' A' ' 39' ' ' ILE . 25.6 t -103.02 112.84 37.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.027 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.55 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 9.8 tptt -58.35 -41.93 85.77 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.096 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -176.49 171.62 2.33 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.792 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 mp -126.58 141.51 45.79 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-O 120.786 0.327 . . . . 0.0 111.036 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.3 t -83.48 147.6 27.73 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.109 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.64 147.0 44.16 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.596 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.8 t0 58.85 49.35 9.98 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.585 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.92 169.27 14.15 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.959 -179.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.457 ' HB2' ' HA ' ' B' ' 14' ' ' TYR . 26.8 mt -55.39 -43.25 75.02 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.173 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.609 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -61.01 -48.1 83.38 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.132 179.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.97 -36.99 86.19 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.14 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -37.5 68.12 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.036 179.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.402 ' CG ' HD13 ' B' ' 5' ' ' LEU . 0.5 OUTLIER -73.26 -33.76 65.44 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.537 -179.774 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.1 41.0 61.21 Favored Glycine 0 C--N 1.333 0.407 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.723 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.714 ' HB3' HG13 ' B' ' 3' ' ' VAL . 14.8 m-80 -122.55 -47.2 2.11 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.505 0.193 . . . . 0.0 111.166 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.842 ' CD1' HG11 ' B' ' 3' ' ' VAL . 30.9 mm -77.05 118.78 24.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.01 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.6 tp60 -117.37 154.31 31.53 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.646 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.18 109.13 0.7 Allowed 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.649 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.92 5.67 50.17 Favored Glycine 0 CA--C 1.525 0.675 0 C-N-CA 120.843 -0.694 . . . . 0.0 113.125 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.8 105.47 0.38 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.943 0.371 . . . . 0.0 110.838 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.2 t -74.7 105.4 3.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.679 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.518 HG22 ' CG1' ' A' ' 76' ' ' VAL . 22.0 t -86.42 128.12 39.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.448 -179.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.8 tt -98.77 -38.76 8.94 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.116 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -134.55 152.81 52.04 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.852 0.358 . . . . 0.0 111.561 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.594 ' HB ' HD13 ' A' ' 64' ' ' LEU . 32.1 mt -139.37 115.34 9.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.679 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 49.3 m-20 55.56 39.06 30.96 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.243 -179.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.68 25.86 64.17 Favored Glycine 0 CA--C 1.523 0.589 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.911 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -131.6 127.97 38.2 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.776 0.288 . . . . 0.0 110.437 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 13.8 t -63.74 141.3 18.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.939 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.617 HG22 HG13 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -124.0 40.35 3.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.101 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -112.95 140.88 47.38 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.68 0.276 . . . . 0.0 110.28 179.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.401 ' HB3' HD22 ' B' ' 58' ' ' LEU . 11.9 m-20 63.52 13.05 6.9 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.896 -179.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.9 tpp -97.61 164.14 12.55 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.788 0.327 . . . . 0.0 110.989 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.1 m -73.27 142.2 47.21 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.865 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.627 HD11 ' HA ' ' B' ' 19' ' ' ALA . 12.5 tp -54.28 -33.81 59.48 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.151 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.28 -37.13 84.71 Favored 'General case' 0 CA--C 1.527 0.077 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.882 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -55.11 -41.94 72.3 Favored 'General case' 0 C--O 1.232 0.184 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.0 -38.23 90.37 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.37 178.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 63' ' ' THR . 0.0 OUTLIER -63.61 -33.03 74.71 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.505 179.217 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.472 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 0.3 OUTLIER -71.01 -40.07 72.01 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.967 179.774 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.594 HD13 ' HB ' ' A' ' 48' ' ' ILE . 12.7 mt -54.25 -38.0 65.31 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.926 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.444 ' HA ' HD11 ' A' ' 72' ' ' LEU . 34.0 mt -70.62 -31.79 47.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.063 179.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -76.37 -50.67 13.6 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.002 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -67.01 -18.24 65.28 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.0 t -52.73 113.77 1.19 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.726 0.298 . . . . 0.0 111.28 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -88.64 83.16 6.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.598 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.44 ' O ' ' HB3' ' B' ' 7' ' ' LYS . . . 91.64 -120.95 6.18 Favored Glycine 0 C--N 1.334 0.428 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.788 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.39 145.5 53.83 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 120.722 0.296 . . . . 0.0 111.545 -179.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.504 HD12 ' CZ ' ' B' ' 14' ' ' TYR . 0.4 OUTLIER -122.14 132.24 54.37 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.218 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.44 130.74 55.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.559 179.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 10.1 mtp -139.61 129.68 25.07 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.773 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.5 t -99.22 111.27 28.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.963 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.518 ' CG1' HG22 ' A' ' 45' ' ' VAL . 30.8 m -113.85 172.56 3.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.195 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.167 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.77 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 19.7 p . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -128.55 137.28 51.66 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.695 0.283 . . . . 0.0 111.025 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' VAL . . . . . 0.842 HG11 ' CD1' ' A' ' 39' ' ' ILE . 33.2 t -115.14 123.33 70.67 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.131 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 7.1 m -128.58 106.58 9.06 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 120.837 0.351 . . . . 0.0 111.155 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.636 ' CD2' HG12 ' B' ' 3' ' ' VAL . 3.8 mm? -98.36 160.47 14.26 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.773 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 18.4 t -125.72 99.42 5.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-O 120.83 0.348 . . . . 0.0 111.171 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.44 ' HB3' ' O ' ' A' ' 70' ' ' GLY . 17.5 ttmt . . . . . 0 N--CA 1.464 0.23 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.841 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 . . . . . 0 CA--C 1.53 0.178 0 CA-C-O 120.763 0.315 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . 0.66 ' HB3' HD23 ' B' ' 16' ' ' LEU . 72.5 m-85 -74.3 -38.85 63.24 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.555 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.62 27.56 72.31 Favored Glycine 0 CA--C 1.522 0.483 0 C-N-CA 120.935 -0.65 . . . . 0.0 113.142 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.66 HD23 ' HB3' ' B' ' 14' ' ' TYR . 3.0 pp -110.2 120.5 42.64 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.956 0.378 . . . . 0.0 110.601 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.55 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 16.1 ttt-85 -77.82 123.32 26.58 Favored 'General case' 0 N--CA 1.461 0.102 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.079 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.7 143.31 27.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.363 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.627 ' HA ' HD11 ' A' ' 58' ' ' LEU . . . -148.24 175.05 11.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.818 179.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 87.5 p -142.71 153.95 43.84 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.057 0.456 . . . . 0.0 111.902 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' HIS . . . . . 0.47 ' HD2' ' CE1' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -125.5 176.27 6.95 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.646 179.891 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.416 HG13 ' HB ' ' B' ' 53' ' ' THR . 44.7 mm -129.08 139.17 52.56 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.071 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.503 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 10.2 p90 -144.61 178.42 7.98 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 120.895 0.379 . . . . 0.0 111.327 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 17.6 t -105.66 112.78 40.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.021 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.539 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 18.4 tptp -59.67 -39.4 84.35 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.17 179.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -177.8 173.93 1.52 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.929 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . 0.467 HG21 ' HB3' ' B' ' 33' ' ' ALA . 3.4 mp -129.71 137.76 55.9 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.882 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 6.2 t -73.22 149.36 42.91 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.244 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 6.0 pm0 -74.87 148.91 39.77 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.049 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 58.07 31.03 20.16 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.393 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 12.0 p -101.46 177.67 4.86 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 120.749 0.309 . . . . 0.0 111.013 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.478 HD11 ' HA ' ' A' ' 7' ' ' LYS . 48.8 mt -59.49 -37.51 78.46 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.621 179.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.467 ' HB3' HG21 ' B' ' 27' ' ' ILE . . . -69.57 -35.97 75.87 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.992 179.135 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.32 -47.53 85.06 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.05 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 3.2 mmt180 -70.35 -36.43 74.19 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.586 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -67.89 -38.8 83.47 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.169 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.72 36.3 93.1 Favored Glycine 0 C--N 1.335 0.5 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.897 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.764 ' HB3' HG22 ' A' ' 3' ' ' VAL . 30.7 m-20 -113.63 -37.79 4.49 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -179.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . 0.715 HG13 HG11 ' A' ' 3' ' ' VAL . 3.1 mt -91.91 134.4 30.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-O 120.684 0.278 . . . . 0.0 111.392 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -129.93 148.2 51.77 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.16 121.82 11.63 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.803 0.335 . . . . 0.0 111.001 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.52 -20.08 37.9 Favored Glycine 0 CA--C 1.522 0.503 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.779 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -55.66 135.69 51.08 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.767 0.318 . . . . 0.0 111.162 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 20.4 t -96.63 123.12 48.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.138 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 21.3 t -90.48 140.21 16.31 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.243 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.567 HD11 ' N ' ' B' ' 77' ' ' GLN . 1.1 mp -109.67 -40.09 4.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -139.01 149.03 44.2 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.786 0.327 . . . . 0.0 111.285 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.653 HD12 HG21 ' B' ' 53' ' ' THR . 29.3 mt -137.33 122.48 25.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.467 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 58.33 35.06 24.58 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.177 -179.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.95 28.96 59.71 Favored Glycine 0 C--N 1.335 0.504 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.774 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -141.15 130.77 24.04 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.667 0.233 . . . . 0.0 110.609 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.634 HG12 ' H ' ' B' ' 54' ' ' GLU . 15.8 t -67.61 140.41 19.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.629 179.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.653 HG21 HD12 ' B' ' 48' ' ' ILE . 0.0 OUTLIER -118.44 26.76 9.37 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.426 179.845 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . 0.634 ' H ' HG12 ' B' ' 52' ' ' VAL . 0.2 OUTLIER -88.03 151.16 22.96 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 120.739 0.304 . . . . 0.0 110.43 179.204 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 7.0 p30 51.84 16.18 0.47 Allowed 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.557 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 1.6 ttm -99.03 162.11 13.25 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.778 0.323 . . . . 0.0 110.724 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 30.9 t -71.94 145.83 48.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.632 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.401 HD22 ' HB3' ' A' ' 55' ' ' ASN . 46.9 tp -56.93 -31.95 65.47 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.907 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.1 -38.47 89.02 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.584 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -58.44 -44.74 89.29 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.706 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.16 -38.73 71.28 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.727 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -65.09 -41.33 95.07 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.541 179.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.13 -41.55 96.93 Favored 'General case' 0 C--N 1.334 -0.085 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.17 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.89 -39.75 66.03 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.747 0.308 . . . . 0.0 110.652 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 36.7 mt -76.58 -32.37 21.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -73.97 -38.53 64.15 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.798 0.332 . . . . 0.0 110.711 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.87 -21.11 60.21 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.757 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 43.5 p -55.96 116.23 2.86 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.088 0.471 . . . . 0.0 111.201 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -46.73 78.13 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.622 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . 0.525 ' HA2' ' HG3' ' A' ' 7' ' ' LYS . . . -160.23 -60.06 0.01 OUTLIER Glycine 0 C--N 1.333 0.367 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.602 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . 0.579 ' HD2' HG22 ' A' ' 6' ' ' VAL . 1.0 OUTLIER -87.22 114.22 23.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.806 0.336 . . . . 0.0 110.925 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.911 HD12 ' CE2' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -101.39 143.0 31.95 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.017 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -125.75 122.57 36.63 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.639 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.443 ' HG3' HG23 ' B' ' 48' ' ' ILE . 2.2 mtp -127.1 132.84 50.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.899 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.498 ' O ' HD12 ' B' ' 46' ' ' LEU . 21.7 t -107.0 116.27 50.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.996 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 24.8 t -105.23 149.13 8.89 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.061 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . 0.567 ' N ' HD11 ' B' ' 46' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.233 0.217 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.847 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.8 tttt . . . . . 0 C--O 1.234 0.285 0 CA-C-O 120.801 0.334 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.763 HG22 ' HB3' ' B' ' 38' ' ' ASN . 27.2 t -116.44 125.64 73.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -129.16 105.42 8.16 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.647 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.466 HD23 ' CG ' ' B' ' 36' ' ' ASP . 60.6 mt -103.33 157.01 17.32 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.05 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 20.7 t -129.04 104.18 10.71 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.397 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.406 ' HE3' ' CE2' ' A' ' 14' ' ' TYR . 6.5 ttmt . . . . . 0 C--O 1.232 0.168 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.715 0.293 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.646 ' CE2' HD12 ' B' ' 72' ' ' LEU . 27.4 m-85 -58.81 -41.81 87.7 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.057 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.54 51.37 43.83 Favored Glycine 0 C--N 1.337 0.589 0 C-N-CA 121.271 -0.49 . . . . 0.0 112.677 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.605 HD23 ' HB3' ' A' ' 14' ' ' TYR . 2.7 pp -121.39 121.61 37.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.924 0.392 . . . . 0.0 111.293 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.462 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -77.98 124.2 27.73 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.263 179.476 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.72 160.52 21.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.984 0.421 . . . . 0.0 111.452 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.675 ' HB3' ' CZ ' ' B' ' 23' ' ' PHE . . . -155.15 179.33 9.25 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.941 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.8 p -129.95 151.95 49.95 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.86 0.362 . . . . 0.0 111.511 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -123.69 177.33 5.75 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.963 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 31.0 mm -134.27 145.14 33.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 120.961 0.41 . . . . 0.0 111.199 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.735 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 17.6 p90 -148.01 174.92 11.43 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.91 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 43' ' ' ASP . 37.6 t -95.26 122.87 47.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.949 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.57 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 42.9 tptt -73.41 -46.3 49.5 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.216 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.531 ' C ' HD13 ' A' ' 27' ' ' ILE . 10.7 pt-20 -173.75 175.96 2.79 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.786 0.327 . . . . 0.0 111.078 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.531 HD13 ' C ' ' A' ' 26' ' ' GLU . 1.7 mm -121.18 144.68 29.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.9 t -90.7 139.89 30.3 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.943 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -73.88 146.52 44.0 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.612 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 57.96 48.42 13.37 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.016 0.436 . . . . 0.0 110.713 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.2 m -133.64 175.28 9.58 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.207 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.677 HD12 ' HA ' ' B' ' 14' ' ' TYR . 41.7 mt -58.44 -38.45 77.49 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.239 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.603 ' HB2' HD12 ' A' ' 39' ' ' ILE . . . -64.96 -47.69 76.7 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.222 179.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.0 76.86 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.222 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.36 -42.91 58.56 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.133 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.89 -37.51 81.84 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.689 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.56 32.46 74.95 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.674 -179.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.732 ' CB ' HG13 ' B' ' 3' ' ' VAL . 17.3 m-80 -114.0 -41.63 3.51 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.554 0.216 . . . . 0.0 111.239 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.763 ' CG1' HG11 ' B' ' 3' ' ' VAL . 15.8 mt -81.57 123.52 37.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.917 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.416 ' CA ' HD11 ' A' ' 27' ' ' ILE . 7.2 tp60 -138.12 149.84 46.29 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.859 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.41 ' HB3' ' HA ' ' A' ' 26' ' ' GLU . 14.2 pt-20 -58.89 131.59 51.44 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.733 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.55 -23.02 36.5 Favored Glycine 0 CA--C 1.521 0.433 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.896 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.554 ' HB3' HG11 ' A' ' 76' ' ' VAL . 3.1 m-20 -56.03 117.02 3.33 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.811 0.305 . . . . 0.0 110.937 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.2 t -81.85 102.2 7.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.96 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.568 ' HA ' HG12 ' A' ' 76' ' ' VAL . 21.3 t -82.35 131.52 33.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.543 -179.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.634 HD23 ' HG3' ' A' ' 47' ' ' LYS . 9.2 tt -110.62 -40.09 4.7 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.172 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.634 ' HG3' HD23 ' A' ' 46' ' ' LEU . 43.5 mttt -127.54 145.77 50.74 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.744 0.306 . . . . 0.0 111.653 -179.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.9 mt -132.1 123.15 50.28 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.745 179.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 19.0 p30 43.81 35.93 1.2 Allowed 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.054 0.542 . . . . 0.0 111.912 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 85.03 38.5 9.19 Favored Glycine 0 C--N 1.335 0.498 0 C-N-CA 120.871 -0.68 . . . . 0.0 113.005 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.6 123.65 8.15 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.872 0.336 . . . . 0.0 110.546 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.703 HG12 ' H ' ' A' ' 54' ' ' GLU . 21.7 t -66.97 140.89 18.67 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.625 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -117.03 26.67 9.63 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.214 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.703 ' H ' HG12 ' A' ' 52' ' ' VAL . 0.4 OUTLIER -91.8 149.97 21.32 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.787 0.327 . . . . 0.0 110.546 179.234 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.541 ' O ' HD22 ' B' ' 58' ' ' LEU . 1.5 p-10 50.42 19.61 0.57 Allowed 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.449 -0.796 . . . . 0.0 112.272 -179.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.6 tpp -102.86 165.88 10.79 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.85 0.357 . . . . 0.0 110.692 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 57.8 p -73.27 138.28 45.41 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.595 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.604 HD22 ' HA ' ' B' ' 55' ' ' ASN . 25.2 tp -55.89 -36.17 67.33 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.588 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.88 -43.4 94.78 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.73 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.1 -41.77 84.25 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.545 179.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.74 -38.4 75.28 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.359 179.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -65.86 -37.92 87.45 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.25 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.64 -41.03 84.52 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.865 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.5 mt -54.4 -37.74 65.39 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.742 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 22.1 mt -75.78 -30.72 21.64 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.962 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -72.03 -55.8 6.76 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 120.758 0.313 . . . . 0.0 110.955 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -61.28 -25.37 67.05 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.582 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.81 113.46 1.33 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.806 0.336 . . . . 0.0 111.186 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.17 121.3 44.95 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.02 -138.63 14.42 Favored Glycine 0 C--N 1.333 0.387 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.872 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.498 ' CE ' HG22 ' B' ' 6' ' ' VAL . 4.3 tttt -70.06 129.35 39.21 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 120.659 0.266 . . . . 0.0 110.873 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.752 HD12 ' CE2' ' B' ' 14' ' ' TYR . 0.6 OUTLIER -105.99 147.91 28.3 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.213 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.631 ' HG3' HG23 ' B' ' 4' ' ' THR . 13.2 mttt -127.09 135.19 50.41 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.705 179.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 7.8 mtm -139.45 118.27 12.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.693 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.7 t -98.14 119.26 45.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.958 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.568 HG12 ' HA ' ' A' ' 45' ' ' VAL . 30.2 m -115.08 164.84 11.1 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.71 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.233 0.226 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.094 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 19.7 m . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 120.727 0.299 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 25.8 mttp -105.56 124.37 49.45 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.043 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' VAL . . . . . 0.763 HG11 ' CG1' ' A' ' 39' ' ' ILE . 26.6 t -104.03 126.34 58.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.962 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . 0.631 HG23 ' HG3' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -128.93 108.1 10.15 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 120.715 0.293 . . . . 0.0 111.341 -179.632 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.691 HD21 HD11 ' A' ' 39' ' ' ILE . 2.7 mm? -101.17 157.72 16.56 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.027 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . 0.498 HG22 ' CE ' ' A' ' 71' ' ' LYS . 6.6 t -120.11 103.2 13.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 CA-C-O 120.715 0.293 . . . . 0.0 111.575 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.492 ' HB2' ' CZ ' ' B' ' 14' ' ' TYR . 2.4 ttmt . . . . . 0 N--CA 1.465 0.322 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.0 179.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 . . . . . 0 CA--C 1.532 0.263 0 CA-C-O 120.564 0.221 . . . . 0.0 110.742 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . 0.752 ' CE2' HD12 ' A' ' 72' ' ' LEU . 13.9 m-85 -53.71 -46.1 70.64 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.975 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.55 47.93 88.48 Favored Glycine 0 C--N 1.335 0.493 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.937 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.546 ' O ' HD12 ' B' ' 16' ' ' LEU . 3.6 pp -128.5 124.5 36.23 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.806 0.336 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.57 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -96.04 129.76 43.23 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.682 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -126.76 146.76 50.11 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.959 0.409 . . . . 0.0 111.46 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.735 ' HB3' ' CZ ' ' A' ' 23' ' ' PHE . . . -133.91 -178.71 5.15 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.8 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . 0.482 ' CB ' HD13 ' A' ' 58' ' ' LEU . 93.1 p -134.05 152.74 51.97 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.017 0.437 . . . . 0.0 111.909 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -128.05 179.98 5.29 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.849 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 34.6 mm -130.24 144.33 38.32 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.139 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.675 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 6.8 p90 -149.09 174.09 12.7 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.988 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.425 HG21 HG23 ' B' ' 39' ' ' ILE . 32.7 t -101.32 119.23 49.23 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.08 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.462 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 21.1 tptm -69.13 -37.5 78.35 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.371 179.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -175.72 174.23 2.24 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.732 0.301 . . . . 0.0 111.128 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 3.5 mp -138.24 134.05 43.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.726 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 6.9 t -74.22 155.23 38.54 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.302 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.77 152.06 24.87 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.924 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 57.82 31.43 20.5 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.046 -179.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.67 175.88 5.34 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.925 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 47.7 mt -57.96 -38.52 76.16 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.586 ' CB ' HD13 ' B' ' 39' ' ' ILE . . . -66.77 -40.04 88.08 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.073 179.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.1 -40.53 89.97 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.07 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -73.76 -40.87 63.16 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.888 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . 0.466 ' CG ' HD23 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -67.07 -34.58 77.97 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.478 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.39 29.8 75.65 Favored Glycine 0 C--N 1.335 0.475 0 C-N-CA 120.94 -0.647 . . . . 0.0 112.756 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.763 ' HB3' HG22 ' A' ' 3' ' ' VAL . 74.4 m-20 -108.71 -32.28 7.4 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 111.533 0.198 . . . . 0.0 111.533 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . 0.586 HD13 ' CB ' ' B' ' 33' ' ' ALA . 3.3 mp -96.74 105.92 17.75 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-O 120.711 0.291 . . . . 0.0 111.083 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.37 153.96 20.95 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.676 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -58.17 113.46 1.93 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.919 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.37 5.74 45.56 Favored Glycine 0 CA--C 1.525 0.668 0 C-N-CA 120.964 -0.636 . . . . 0.0 113.036 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -61.54 149.43 39.03 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.965 0.382 . . . . 0.0 110.875 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.2 t -110.74 101.7 12.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-O 120.761 0.315 . . . . 0.0 111.137 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 21.6 t -79.13 133.67 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.148 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.409 ' CD2' ' HE2' ' B' ' 47' ' ' LYS . 0.8 OUTLIER -113.65 -41.9 3.53 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.399 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . 0.409 ' HE2' ' CD2' ' B' ' 46' ' ' LEU . 8.1 mttm -133.22 152.07 51.94 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.624 0.249 . . . . 0.0 111.635 -179.482 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.825 HD12 HD13 ' B' ' 64' ' ' LEU . 19.8 mt -134.9 119.75 28.58 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.945 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' ASN . . . . . 0.565 ' ND2' HG22 ' B' ' 48' ' ' ILE . 16.4 p30 42.1 44.96 3.31 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.195 0.598 . . . . 0.0 111.652 -179.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.44 38.33 33.53 Favored Glycine 0 C--N 1.335 0.499 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.823 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.59 116.26 7.18 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.878 0.339 . . . . 0.0 110.52 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.653 HG12 ' H ' ' B' ' 54' ' ' GLU . 12.1 t -61.72 140.67 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.639 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.27 22.27 13.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.552 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . 0.653 ' H ' HG12 ' B' ' 52' ' ' VAL . 0.1 OUTLIER -92.32 144.57 25.26 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-O 120.81 0.338 . . . . 0.0 110.333 179.12 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . 0.604 ' HA ' HD22 ' A' ' 58' ' ' LEU . 5.4 m120 62.49 14.93 7.41 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.993 -179.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 2.4 tpp -100.64 164.75 11.74 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.84 0.352 . . . . 0.0 111.051 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.45 146.03 34.71 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.736 179.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.541 HD22 ' O ' ' A' ' 55' ' ' ASN . 17.0 tp -55.8 -31.83 62.99 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.934 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.92 -41.0 97.43 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.743 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -57.08 -43.9 82.62 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.676 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.76 -36.56 69.95 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.735 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -68.61 -35.28 77.11 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.608 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -70.38 -41.13 73.45 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.076 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.825 HD13 HD12 ' B' ' 48' ' ' ILE . 0.9 OUTLIER -54.7 -39.6 68.33 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.759 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 40.2 mt -72.35 -31.14 37.53 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.83 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -75.48 -46.89 29.68 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.682 0.277 . . . . 0.0 110.896 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 -59.55 -23.28 62.75 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.689 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 9.3 t -55.46 107.57 0.34 Allowed 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 120.794 0.331 . . . . 0.0 110.929 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -62.46 -38.19 88.86 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.283 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -160.48 -63.58 0.01 OUTLIER Glycine 0 C--N 1.333 0.389 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.472 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -86.6 123.67 32.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.705 0.288 . . . . 0.0 111.253 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.646 HD12 ' CE2' ' A' ' 14' ' ' TYR . 0.4 OUTLIER -107.95 120.84 43.43 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.794 179.765 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -106.51 131.03 54.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.656 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -143.23 138.62 29.78 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.8 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 21.6 t -107.04 111.22 34.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.725 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 16.0 m -110.79 149.51 13.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.39 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.179 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.791 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.7 mtmm . . . . . 0 C--O 1.234 0.241 0 CA-C-O 120.622 0.249 . . . . 0.0 110.597 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.714 HG11 ' CG1' ' B' ' 39' ' ' ILE . 32.8 t -113.65 126.46 71.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.949 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.501 HG23 ' HG3' ' B' ' 73' ' ' LYS . 0.2 OUTLIER -128.92 112.73 14.4 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.962 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 70.8 mt -109.64 156.79 19.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.96 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.6 t -125.52 101.16 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.151 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.127 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.476 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 4.7 ttmm . . . . . 0 N--CA 1.464 0.237 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.26 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 . . . . . 0 C--O 1.233 0.212 0 CA-C-O 120.799 0.333 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.895 ' HA ' HD12 ' B' ' 32' ' ' LEU . 88.4 m-85 -66.91 -34.34 77.57 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.427 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.29 41.23 92.88 Favored Glycine 0 C--N 1.334 0.469 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.642 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.567 HD12 ' O ' ' A' ' 16' ' ' LEU . 4.2 pp -116.92 136.29 53.06 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.862 0.363 . . . . 0.0 110.702 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.543 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -90.91 116.45 28.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.098 -179.634 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.707 HD11 ' CG2' ' B' ' 22' ' ' ILE . 0.3 OUTLIER -104.89 137.71 42.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.232 -179.712 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.59 ' N ' HD13 ' A' ' 18' ' ' LEU . . . -139.72 169.0 18.53 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 179.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.405 ' OG ' ' HA ' ' A' ' 55' ' ' ASN . 91.8 p -125.34 150.38 47.23 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.854 0.359 . . . . 0.0 111.387 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.646 ' O ' HD12 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -115.55 176.04 5.25 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.629 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.826 HG23 HD11 ' B' ' 18' ' ' LEU . 1.2 mp -132.51 132.69 60.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.805 0.336 . . . . 0.0 111.004 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.554 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 13.3 p90 -139.7 179.04 6.81 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.065 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.9 t -103.1 115.0 44.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-O 120.788 0.327 . . . . 0.0 111.305 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.595 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 27.2 tptt -66.11 -39.76 90.21 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.139 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.424 ' HG2' ' HB2' ' B' ' 17' ' ' ARG . 3.4 pt-20 -178.01 172.72 1.59 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.216 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.5 mp -130.45 137.91 55.08 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.916 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.93 152.36 22.49 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.459 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -79.57 158.08 27.22 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.973 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 61.16 29.57 18.88 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.228 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m -116.04 173.72 6.42 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.844 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.9 mt -57.58 -43.56 84.66 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.546 ' HB2' HD12 ' A' ' 39' ' ' ILE . . . -59.74 -38.23 81.16 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.292 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.87 -42.45 94.82 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.688 0.28 . . . . 0.0 110.989 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.71 -37.59 73.57 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.792 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.85 -41.56 71.3 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.37 35.47 91.47 Favored Glycine 0 CA--C 1.52 0.362 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.496 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.539 ' CB ' HG13 ' B' ' 3' ' ' VAL . 2.6 m-80 -110.3 -36.88 5.68 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 -179.668 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.546 HD12 ' HB2' ' A' ' 33' ' ' ALA . 25.1 mt -84.55 136.38 22.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.201 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -129.88 153.92 47.82 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.19 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.81 118.55 9.82 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.45 -19.14 43.17 Favored Glycine 0 CA--C 1.521 0.466 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.799 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -55.32 137.01 48.64 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.787 0.327 . . . . 0.0 111.109 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.4 t -98.29 122.09 49.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.539 HG11 ' HG2' ' A' ' 74' ' ' MET . 21.0 t -96.63 134.88 32.61 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.499 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.1 tp -98.9 -40.66 7.98 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.24 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -134.43 153.4 51.93 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.937 0.399 . . . . 0.0 111.609 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.543 HD12 HG21 ' A' ' 53' ' ' THR . 29.8 mt -141.62 118.11 7.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.448 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 58.73 39.45 24.28 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.95 25.32 71.82 Favored Glycine 0 CA--C 1.523 0.557 0 C-N-CA 120.981 -0.628 . . . . 0.0 113.27 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.61 129.2 21.46 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.998 0.399 . . . . 0.0 110.677 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.495 HG12 ' H ' ' A' ' 54' ' ' GLU . 12.8 t -71.09 137.54 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.616 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.778 ' O ' HD13 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -108.51 32.3 4.95 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.2 179.772 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.495 ' H ' HG12 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -90.57 148.92 22.38 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 120.725 0.298 . . . . 0.0 110.202 179.109 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.524 ' HB2' HD22 ' B' ' 58' ' ' LEU . 7.6 p30 51.73 18.67 0.78 Allowed 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.198 -179.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.4 ttm -102.07 153.31 20.04 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.753 0.311 . . . . 0.0 110.715 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.1 t -61.07 146.07 48.62 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.679 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.62 HD11 ' HA ' ' B' ' 19' ' ' ALA . 33.9 tp -54.7 -33.53 61.09 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.631 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.95 -39.56 83.41 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.554 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.39 -45.94 69.48 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.954 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.91 -40.89 77.15 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.939 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.1 mtpt -64.84 -40.12 94.65 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.557 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.81 -39.85 93.18 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.942 179.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.505 HD13 ' HB ' ' A' ' 48' ' ' ILE . 1.9 mt -55.63 -34.76 65.2 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.828 0.347 . . . . 0.0 110.338 179.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 21.9 mm -67.92 -34.32 66.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.74 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.26 -40.35 52.08 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.855 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.06 -28.85 66.84 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.547 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.2 t -60.08 103.62 0.24 Allowed 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.931 0.396 . . . . 0.0 111.057 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -31.31 71.23 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.423 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -148.8 -95.98 0.16 Allowed Glycine 0 C--N 1.335 0.503 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.774 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.88 148.67 45.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.901 0.382 . . . . 0.0 111.177 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.715 HD12 ' CZ ' ' B' ' 14' ' ' TYR . 0.5 OUTLIER -127.05 126.58 43.32 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.831 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.58 ' HG2' HG23 ' B' ' 4' ' ' THR . 11.2 mtmt -108.07 106.84 17.24 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.177 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.539 ' HG2' HG11 ' A' ' 45' ' ' VAL . 0.3 OUTLIER -113.04 122.74 48.52 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 179.669 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 37.6 t -98.47 133.29 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.865 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 7.6 m -119.04 166.4 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-O 120.867 0.365 . . . . 0.0 111.665 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 . . . . . 0 CA--C 1.532 0.253 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.992 179.792 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 120.91 0.386 . . . . 0.0 111.487 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -125.2 135.1 52.26 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.643 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' VAL . . . . . 0.66 HG12 ' CD2' ' B' ' 5' ' ' LEU . 25.7 t -118.54 127.13 75.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.765 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . 0.58 HG23 ' HG2' ' A' ' 73' ' ' LYS . 0.7 OUTLIER -128.13 108.29 10.52 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.878 0.37 . . . . 0.0 111.366 -179.803 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.66 ' CD2' HG12 ' B' ' 3' ' ' VAL . 3.5 mm? -100.79 160.47 14.33 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.861 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 20.5 t -127.7 99.12 4.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.155 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.483 ' HB2' ' CZ ' ' B' ' 14' ' ' TYR . 11.4 ttmt . . . . . 0 N--CA 1.464 0.235 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.038 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.913 0.387 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . 0.784 ' HB3' HD23 ' B' ' 16' ' ' LEU . 32.8 m-85 -71.83 -30.97 66.04 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.522 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.56 32.32 64.68 Favored Glycine 0 C--N 1.335 0.476 0 C-N-CA 121.075 -0.583 . . . . 0.0 112.953 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.784 HD23 ' HB3' ' B' ' 14' ' ' TYR . 3.2 pp -108.77 134.3 51.67 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.764 0.316 . . . . 0.0 110.747 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.595 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 3.6 mmt180 -92.19 118.87 31.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.743 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.826 HD11 HG23 ' A' ' 22' ' ' ILE . 0.4 OUTLIER -102.05 126.41 48.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.62 ' HA ' HD11 ' A' ' 58' ' ' LEU . . . -121.54 173.48 7.38 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.991 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 75.1 p -127.89 146.5 50.61 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.148 0.499 . . . . 0.0 111.895 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' HIS . . . . . 0.506 ' O ' HD13 ' B' ' 22' ' ' ILE . 0.1 OUTLIER -116.44 -178.03 3.32 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.899 179.766 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.707 ' CG2' HD11 ' A' ' 18' ' ' LEU . 26.2 mm -132.23 137.43 54.58 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.206 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.526 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 11.0 p90 -149.64 179.76 7.74 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.196 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t -107.1 121.13 59.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.12 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.543 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 17.4 tptt -74.27 -39.5 62.93 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.252 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -174.08 177.37 2.35 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.909 0.385 . . . . 0.0 111.25 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 3.0 mp -131.74 137.52 54.89 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.969 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 25.3 t -78.79 158.53 28.2 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.24 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -85.19 151.61 23.97 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.902 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 58.4 34.91 24.4 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.216 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 24.3 p -114.65 174.04 6.16 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.091 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.895 HD12 ' HA ' ' A' ' 14' ' ' TYR . 4.5 mt -60.7 -42.15 96.61 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.08 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.477 ' CB ' HD12 ' B' ' 39' ' ' ILE . . . -61.02 -45.74 93.58 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.242 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.85 80.13 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.197 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 9.1 mtm180 -78.08 -39.46 41.47 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.03 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.54 -34.59 76.13 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.323 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.59 33.74 88.05 Favored Glycine 0 C--N 1.335 0.49 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.95 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.589 ' HB3' HG22 ' A' ' 3' ' ' VAL . 36.9 m-80 -110.3 -32.27 7.02 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.706 0.253 . . . . 0.0 111.552 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . 0.714 ' CG1' HG11 ' A' ' 3' ' ' VAL . 22.9 mt -92.97 137.7 21.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-O 120.733 0.301 . . . . 0.0 111.112 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -134.65 143.58 47.36 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.47 123.31 16.39 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.803 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.81 -21.35 36.55 Favored Glycine 0 CA--C 1.522 0.499 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.873 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.41 137.34 48.31 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.761 0.315 . . . . 0.0 111.303 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.2 t -95.53 123.25 47.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . 0.431 HG11 ' HG2' ' B' ' 74' ' ' MET . 22.0 t -99.15 128.81 50.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.231 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.467 ' O ' HG13 ' B' ' 52' ' ' VAL . 0.5 OUTLIER -100.15 -34.28 10.11 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.152 179.672 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . 0.475 ' HG3' HG22 ' B' ' 52' ' ' VAL . 6.7 mttm -134.64 153.06 52.15 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.787 0.327 . . . . 0.0 111.477 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.774 HD12 HG21 ' B' ' 53' ' ' THR . 21.0 mt -139.83 118.83 12.18 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.513 179.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 57.13 36.03 27.03 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.471 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.92 31.49 53.17 Favored Glycine 0 C--N 1.335 0.501 0 C-N-CA 120.916 -0.659 . . . . 0.0 113.121 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.69 123.75 8.78 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.777 0.288 . . . . 0.0 110.52 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.662 HG12 ' H ' ' B' ' 54' ' ' GLU . 17.1 t -66.29 132.02 31.88 Favored 'Isoleucine or valine' 0 C--O 1.231 0.106 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.473 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.774 HG21 HD12 ' B' ' 48' ' ' ILE . 1.0 OUTLIER -106.56 25.42 11.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.452 -179.883 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . 0.662 ' H ' HG12 ' B' ' 52' ' ' VAL . 1.1 tt0 -80.04 144.15 33.44 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . 0.483 ' O ' HD22 ' A' ' 58' ' ' LEU . 5.2 m120 62.16 15.15 7.2 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.875 -179.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' MET . . . . . 0.506 ' HE3' ' HA ' ' B' ' 53' ' ' THR . 1.3 ttm -103.16 160.28 14.79 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.785 0.326 . . . . 0.0 110.881 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.1 m -69.95 146.06 51.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.772 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.524 HD22 ' HB2' ' A' ' 55' ' ' ASN . 35.0 tp -54.88 -32.57 61.03 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.026 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 1.2 m -63.73 -37.97 89.35 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.675 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.21 -48.36 73.97 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.976 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.63 -41.61 77.43 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.62 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 23.1 mttt -62.53 -40.54 97.1 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.486 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.33 -41.89 90.17 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.618 179.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.729 HD13 ' HB ' ' B' ' 48' ' ' ILE . 0.6 OUTLIER -52.2 -38.04 56.71 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.698 179.48 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 22.5 mt -74.2 -31.18 28.58 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.705 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -75.76 -42.29 50.81 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.03 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.21 -7.18 59.65 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 94.0 p -55.18 115.94 2.52 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.979 0.419 . . . . 0.0 111.056 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 4.3 mmtm -78.6 74.84 5.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.307 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 82.74 -85.78 1.49 Allowed Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.882 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.36 144.23 32.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.852 0.358 . . . . 0.0 111.333 -179.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.408 HD12 ' CZ ' ' A' ' 14' ' ' TYR . 0.4 OUTLIER -122.79 140.42 52.93 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.903 -179.905 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' LYS . . . . . 0.501 ' HG3' HG23 ' A' ' 4' ' ' THR . 9.8 mttp -120.99 131.74 54.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.731 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.431 ' HG2' HG11 ' B' ' 45' ' ' VAL . 2.0 ttm -135.86 124.25 23.38 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.673 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 21.6 t -101.25 118.17 47.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.031 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 14.9 m -111.58 177.12 1.52 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.225 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 . . . . . 0 C--O 1.232 0.167 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 179.661 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.1 mptt . . . . . 0 C--O 1.233 0.193 0 CA-C-O 120.667 0.27 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.817 HG11 HG13 ' B' ' 39' ' ' ILE . 38.3 t -112.95 131.09 65.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.734 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.5 m -129.1 112.1 13.63 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-O 120.72 0.295 . . . . 0.0 111.125 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.41 ' CD1' HD23 ' A' ' 16' ' ' LEU . 46.4 mt -107.04 160.2 15.73 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.095 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.67 100.91 5.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.894 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 7.5 ttmt . . . . . 0 C--O 1.233 0.229 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.065 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.201 0 CA-C-O 120.914 0.388 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.645 ' CE2' HD12 ' B' ' 72' ' ' LEU . 62.4 m-85 -60.88 -39.73 90.35 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.308 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.74 -25.87 12.35 Favored Glycine 0 C--N 1.335 0.507 0 C-N-CA 120.905 -0.664 . . . . 0.0 113.067 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.48 ' CD1' HD13 ' A' ' 18' ' ' LEU . 2.5 pp -69.06 115.62 8.56 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.976 0.417 . . . . 0.0 111.021 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.493 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.1 OUTLIER -88.18 129.08 35.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.953 179.497 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.48 HD13 ' CD1' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -121.56 156.09 33.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.074 0.464 . . . . 0.0 111.623 -179.689 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.705 ' HB3' ' CZ ' ' B' ' 23' ' ' PHE . . . -151.82 177.39 10.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.13 -179.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.439 ' OG ' ' HA ' ' A' ' 55' ' ' ASN . 93.7 p -131.39 149.6 52.48 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 120.839 0.352 . . . . 0.0 111.386 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.514 ' HD2' ' CE1' ' B' ' 23' ' ' PHE . 0.2 OUTLIER -120.23 -179.9 4.09 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.789 -179.886 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 28.9 mm -127.67 140.61 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.188 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.468 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 8.1 p90 -146.91 172.86 13.03 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.258 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.557 HG21 HG23 ' A' ' 39' ' ' ILE . 21.5 t -101.14 108.55 23.61 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.86 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.555 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 9.4 tptm -59.79 -38.09 80.93 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.152 179.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -177.29 178.78 1.04 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.869 0.366 . . . . 0.0 111.334 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.0 mp -133.01 149.27 31.58 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.051 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.0 m -93.41 155.98 17.04 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.215 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -79.3 150.55 31.47 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.335 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.2 t70 56.39 42.29 27.82 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.908 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 73.6 m -121.24 171.2 8.89 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.079 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.474 HD11 ' HA ' ' B' ' 7' ' ' LYS . 19.9 mt -62.05 -40.18 94.87 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.263 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.1 -44.08 96.68 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.021 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.63 -39.88 91.93 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.103 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.99 -48.28 58.8 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.968 179.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.27 -34.02 75.75 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.44 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.2 33.89 88.12 Favored Glycine 0 C--N 1.336 0.562 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.843 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.732 ' CB ' HG13 ' B' ' 3' ' ' VAL . 76.1 m-20 -112.37 -38.47 4.67 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.609 0.242 . . . . 0.0 111.344 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.557 HG23 HG21 ' A' ' 24' ' ' VAL . 4.2 mp -93.09 105.41 16.77 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.805 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.28 150.05 28.54 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.773 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.65 127.61 32.53 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.831 0.348 . . . . 0.0 110.796 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.59 -23.58 31.0 Favored Glycine 0 CA--C 1.521 0.421 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.867 -179.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -56.58 146.23 25.79 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.787 0.327 . . . . 0.0 111.118 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.1 t -110.44 113.61 44.72 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.225 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.3 t -90.33 134.87 27.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.401 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.648 HD23 ' HG3' ' A' ' 47' ' ' LYS . 5.7 tt -106.03 -40.81 5.56 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.142 179.425 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.648 ' HG3' HD23 ' A' ' 46' ' ' LEU . 25.7 mttt -128.4 151.39 49.42 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.9 0.381 . . . . 0.0 111.874 -179.575 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.518 HG23 ' HG2' ' A' ' 74' ' ' MET . 39.7 mt -140.57 119.04 10.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.407 179.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.447 ' OD1' HD23 ' A' ' 72' ' ' LEU . 10.3 m-20 57.83 36.72 26.66 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.255 -179.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.32 25.65 65.47 Favored Glycine 0 CA--C 1.524 0.626 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.957 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.58 133.78 36.73 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.848 0.324 . . . . 0.0 110.524 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.643 HG12 ' H ' ' A' ' 54' ' ' GLU . 15.2 t -70.69 135.95 27.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.71 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.46 23.88 12.38 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.254 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.643 ' H ' HG12 ' A' ' 52' ' ' VAL . 0.3 OUTLIER -87.37 150.28 23.93 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 120.752 0.311 . . . . 0.0 110.47 179.387 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.825 ' HB2' HD22 ' B' ' 58' ' ' LEU . 8.1 p30 51.11 17.6 0.48 Allowed 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.64 -179.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.7 tpp -99.9 168.37 9.92 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.811 0.339 . . . . 0.0 110.997 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.8 p -71.48 143.32 50.07 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.607 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.545 HD22 ' HA ' ' B' ' 55' ' ' ASN . 41.5 tp -57.71 -32.92 67.86 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.962 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.88 -36.79 75.75 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.954 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -53.63 -45.19 70.07 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.44 -40.59 82.97 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.701 179.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 63' ' ' THR . 0.0 OUTLIER -61.95 -36.89 82.76 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.889 179.378 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.421 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 0.2 OUTLIER -63.84 -40.89 97.67 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.981 179.476 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.8 -36.12 64.61 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.755 0.312 . . . . 0.0 110.366 179.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 17.4 mm -67.72 -33.05 59.43 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.946 179.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -76.76 -49.84 14.98 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.156 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -61.73 -25.05 67.2 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.314 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.407 ' OG ' ' HG ' ' A' ' 72' ' ' LEU . 3.5 m -51.66 111.34 0.58 Allowed 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.812 0.339 . . . . 0.0 111.191 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt -78.25 78.39 4.72 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.049 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 79.21 -73.52 2.34 Favored Glycine 0 C--N 1.334 0.454 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.675 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 24.5 tttt -79.65 134.54 36.44 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.855 0.359 . . . . 0.0 111.3 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.469 HD12 ' CZ ' ' B' ' 14' ' ' TYR . 0.5 OUTLIER -117.09 135.4 53.77 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.811 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.3 mttp -117.65 132.33 56.51 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.612 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.518 ' HG2' HG23 ' A' ' 48' ' ' ILE . 8.1 mtm -145.41 133.87 21.94 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.971 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.3 t -107.71 125.44 64.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.779 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.5 t -100.16 140.35 19.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.266 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.234 0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.227 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 48.2 m . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 120.684 0.278 . . . . 0.0 111.401 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -123.99 139.82 53.57 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' VAL . . . . . 0.732 HG13 ' CB ' ' A' ' 38' ' ' ASN . 21.5 t -126.99 123.76 63.17 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.911 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.01 105.68 8.36 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.846 179.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.536 HD11 HD13 ' A' ' 39' ' ' ILE . 73.0 mt -96.89 150.84 20.28 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.69 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . 0.458 ' O ' HD22 ' A' ' 32' ' ' LEU . 25.0 t -122.8 101.81 10.4 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.938 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.474 ' HA ' HD11 ' A' ' 32' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.233 0.219 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.309 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.727 0.298 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . 0.771 ' HB3' HD23 ' B' ' 16' ' ' LEU . 50.6 m-85 -60.09 -29.76 68.79 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.375 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.87 49.97 56.43 Favored Glycine 0 C--N 1.338 0.651 0 C-N-CA 121.306 -0.473 . . . . 0.0 112.835 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.771 HD23 ' HB3' ' B' ' 14' ' ' TYR . 2.4 pp -120.39 123.57 43.38 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.921 0.391 . . . . 0.0 111.199 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.555 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -80.75 107.88 13.94 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.539 179.839 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.766 HD23 ' CD1' ' B' ' 16' ' ' LEU . 0.2 OUTLIER -91.25 147.89 22.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.394 -179.627 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.489 ' HA ' HD11 ' A' ' 58' ' ' LEU . . . -154.48 171.25 19.69 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.096 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 84.8 p -135.84 153.96 51.33 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.967 0.413 . . . . 0.0 111.844 -179.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' HIS . . . . . 0.452 ' HD2' ' CE1' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -127.85 178.4 6.19 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.989 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 21.5 mm -127.26 141.44 46.31 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.22 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.705 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 8.5 p90 -148.23 175.07 11.37 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 40.0 t -93.75 123.35 45.82 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.709 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.493 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 21.5 tptt -71.72 -43.1 66.46 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.536 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -178.73 176.29 0.98 Allowed 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.748 0.309 . . . . 0.0 111.16 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 4.1 mm -121.38 131.34 73.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.68 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 57.7 m -83.6 137.16 33.95 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.42 146.65 46.82 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.818 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 58.19 41.25 23.96 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.84 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.12 179.66 4.96 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.75 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.611 HD12 ' HA ' ' A' ' 14' ' ' TYR . 51.5 mt -60.33 -36.35 77.76 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.3 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.47 -39.24 91.75 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.244 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.71 -42.82 81.34 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.123 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 27.2 mtt-85 -66.3 -45.76 79.28 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.658 179.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.75 -40.49 84.09 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.144 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.22 37.31 94.68 Favored Glycine 0 C--N 1.335 0.527 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.69 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.515 ' CB ' HG13 ' A' ' 3' ' ' VAL . 13.7 m-80 -113.72 -36.31 4.9 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . 0.817 HG13 HG11 ' A' ' 3' ' ' VAL . 3.1 mp -87.17 134.58 27.28 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-O 120.71 0.29 . . . . 0.0 111.114 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -123.27 152.82 40.98 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.907 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.93 121.32 17.12 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.665 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.87 -16.76 50.47 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 120.876 -0.678 . . . . 0.0 113.124 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.9 134.03 42.92 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.923 0.361 . . . . 0.0 111.233 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 27.7 t -90.35 108.73 19.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.847 0.356 . . . . 0.0 110.931 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . 0.675 HG22 HG12 ' B' ' 76' ' ' VAL . 24.4 t -88.29 127.13 41.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.227 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.5 -43.64 7.88 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.005 179.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . 0.522 ' CG ' HG22 ' B' ' 52' ' ' VAL . 0.0 OUTLIER -134.92 160.17 39.13 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 120.983 0.42 . . . . 0.0 111.966 -179.859 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.581 HD13 HD13 ' B' ' 64' ' ' LEU . 3.7 mp -132.32 115.86 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.507 179.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 21.1 p30 44.74 34.51 1.19 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.176 0.59 . . . . 0.0 111.885 -179.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.46 40.74 5.31 Favored Glycine 0 C--N 1.335 0.48 0 C-N-CA 120.903 -0.665 . . . . 0.0 113.21 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -156.24 118.07 3.95 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.875 0.337 . . . . 0.0 110.583 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.557 HG12 ' H ' ' B' ' 54' ' ' GLU . 23.6 t -77.23 137.95 21.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.546 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.432 ' OG1' HD11 ' B' ' 48' ' ' ILE . 0.8 OUTLIER -113.47 33.65 5.0 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.582 -179.837 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . 0.557 ' H ' HG12 ' B' ' 52' ' ' VAL . 0.1 OUTLIER -88.19 139.56 30.38 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.858 0.361 . . . . 0.0 110.37 179.288 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . 0.545 ' HA ' HD22 ' A' ' 58' ' ' LEU . 20.1 m-20 64.82 15.58 9.93 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.081 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -103.9 -178.14 3.57 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.8 0.333 . . . . 0.0 110.965 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.98 145.94 24.0 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.835 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.825 HD22 ' HB2' ' A' ' 55' ' ' ASN . 9.9 tp -56.23 -30.58 62.56 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.854 179.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.99 -40.69 90.01 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.823 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.04 -42.49 90.36 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.627 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.83 -39.5 77.78 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.428 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 18.7 mtmt -63.59 -36.62 84.42 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.392 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.96 -39.97 94.29 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.97 179.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.581 HD13 HD13 ' B' ' 48' ' ' ILE . 2.1 mt -56.18 -35.22 66.99 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.755 0.312 . . . . 0.0 110.712 179.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 17.6 mt -77.99 -29.27 15.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.968 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.57 -47.23 19.96 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.773 0.32 . . . . 0.0 111.002 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -62.12 -21.43 65.01 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.107 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 60.3 p -55.03 105.25 0.15 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 120.963 0.411 . . . . 0.0 110.914 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -33.88 72.42 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.544 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -164.28 -70.67 0.02 OUTLIER Glycine 0 C--N 1.334 0.449 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.354 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 ptpp? -83.62 140.28 32.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.807 0.337 . . . . 0.0 111.033 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.645 HD12 ' CE2' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -118.73 146.2 44.94 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.787 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 7.8 mtmt -126.95 135.57 51.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.657 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -139.24 126.88 21.84 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 22.0 t -109.16 111.06 34.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.675 HG12 HG22 ' B' ' 45' ' ' VAL . 36.0 m -105.1 164.37 4.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.307 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.213 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.8 ptmm? . . . . . 0 CA--C 1.53 0.21 0 CA-C-O 120.677 0.275 . . . . 0.0 111.395 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.706 HG13 ' HB3' ' B' ' 38' ' ' ASN . 32.0 t -114.6 131.33 67.04 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.874 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.515 ' C ' HD22 ' A' ' 5' ' ' LEU . 3.0 m -129.05 123.61 32.73 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.71 0.29 . . . . 0.0 111.424 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.515 HD22 ' C ' ' A' ' 4' ' ' THR . 4.0 mm? -117.22 160.29 21.3 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.79 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.499 HG22 ' HG2' ' B' ' 71' ' ' LYS . 17.0 t -127.02 98.74 4.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.038 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.513 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 15.4 ttmt . . . . . 0 N--CA 1.465 0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.082 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.737 0.303 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.874 ' HA ' HD12 ' B' ' 32' ' ' LEU . 83.7 m-85 -75.61 -24.43 56.52 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.553 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.39 30.33 41.4 Favored Glycine 0 C--N 1.336 0.54 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.786 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.494 HD23 ' HB3' ' A' ' 14' ' ' TYR . 2.7 pp -120.37 120.91 37.34 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.834 0.35 . . . . 0.0 110.778 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.441 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -73.41 122.6 22.34 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.773 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.751 HD11 HG23 ' B' ' 22' ' ' ILE . 0.9 OUTLIER -100.88 135.53 42.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.305 -179.603 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.622 ' N ' HD13 ' A' ' 18' ' ' LEU . . . -134.84 170.95 15.09 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.662 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.4 p -134.58 150.55 50.73 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.961 0.41 . . . . 0.0 111.944 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.409 ' O ' HD13 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -117.99 177.61 4.72 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.87 179.85 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.661 ' CG2' HD11 ' B' ' 18' ' ' LEU . 33.4 mm -133.47 137.4 53.07 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 120.687 0.28 . . . . 0.0 111.243 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.47 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 6.1 p90 -149.5 -179.06 6.79 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.315 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 25.3 t -107.54 114.94 47.59 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.911 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.514 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 15.7 tptm -65.36 -40.05 93.11 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.289 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -174.92 176.37 2.18 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.907 0.384 . . . . 0.0 111.089 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.405 ' CG2' ' HB3' ' A' ' 33' ' ' ALA . 2.9 mt -131.13 134.67 61.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.985 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.7 m -75.23 149.11 38.98 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.187 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -79.11 152.51 30.75 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.947 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 59.45 28.19 17.5 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.525 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.29 175.17 5.58 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.785 0.326 . . . . 0.0 110.908 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.442 HD12 ' N ' ' B' ' 14' ' ' TYR . 25.9 mt -58.03 -35.62 71.57 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.319 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.405 ' HB3' ' CG2' ' A' ' 27' ' ' ILE . . . -65.31 -43.12 92.06 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.642 -0.253 . . . . 0.0 111.273 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.88 -39.74 90.36 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.173 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -74.49 -43.49 55.76 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.957 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -64.27 -36.65 84.8 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.387 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.78 45.87 93.27 Favored Glycine 0 C--N 1.335 0.519 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.803 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.66 ' CB ' HG13 ' B' ' 3' ' ' VAL . 10.4 m-80 -125.53 -46.72 1.74 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.457 0.17 . . . . 0.0 111.279 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.691 ' CD1' HG11 ' B' ' 3' ' ' VAL . 30.5 mm -72.69 136.23 26.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-O 120.771 0.32 . . . . 0.0 111.152 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.43 141.44 45.43 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.565 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.07 127.98 33.94 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.992 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.29 -22.3 39.64 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.837 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.8 138.97 55.09 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.822 0.344 . . . . 0.0 111.138 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 22.6 t -94.04 119.51 42.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.236 -179.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.687 ' HA ' HG12 ' A' ' 76' ' ' VAL . 21.3 t -92.04 114.77 29.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.972 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.5 mp -83.48 -46.62 12.26 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.001 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -131.01 157.43 43.02 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.34 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.75 ' HB ' HD13 ' A' ' 64' ' ' LEU . 31.4 mt -139.02 121.51 17.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.593 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 58.34 32.08 21.64 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.245 -179.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.57 34.74 27.6 Favored Glycine 0 C--N 1.337 0.609 0 C-N-CA 120.996 -0.621 . . . . 0.0 113.065 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.02 125.81 9.69 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.861 0.331 . . . . 0.0 110.744 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.535 HG12 ' H ' ' A' ' 54' ' ' GLU . 17.3 t -67.44 137.75 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.645 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.47 ' HB ' HG13 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -119.79 33.08 5.76 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.473 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.535 ' H ' HG12 ' A' ' 52' ' ' VAL . 1.9 tt0 -93.32 142.77 26.95 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.779 0.323 . . . . 0.0 110.428 179.187 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 66.89 9.39 6.79 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.282 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.3 ttm -103.12 175.98 5.3 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.745 0.307 . . . . 0.0 110.601 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.0 p -75.2 139.34 42.57 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.301 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.764 HD22 ' HA ' ' B' ' 55' ' ' ASN . 62.2 tp -54.47 -33.87 60.47 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.915 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.87 -42.76 94.42 Favored 'General case' 0 C--O 1.227 -0.106 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.058 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.77 -48.83 66.54 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.651 0.263 . . . . 0.0 110.719 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.23 -39.22 82.07 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.29 178.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 63' ' ' THR . 0.0 OUTLIER -64.74 -37.4 87.49 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.384 178.896 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.415 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 0.2 OUTLIER -64.65 -40.76 96.01 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.891 179.542 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.75 HD13 ' HB ' ' A' ' 48' ' ' ILE . 3.1 mt -55.1 -34.95 64.11 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.753 0.311 . . . . 0.0 110.354 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 17.0 mm -68.23 -33.48 60.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.648 178.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -76.2 -40.83 51.33 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.802 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -57.9 -31.82 67.13 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.373 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.402 ' CB ' ' HG ' ' A' ' 72' ' ' LEU . 8.0 t -61.18 109.85 1.23 Allowed 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.745 0.307 . . . . 0.0 110.864 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -97.82 29.4 3.42 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.311 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 165.54 -90.38 0.1 Allowed Glycine 0 C--N 1.336 0.582 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.451 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.93 135.04 33.44 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.965 0.412 . . . . 0.0 111.545 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.861 HD12 ' CE2' ' B' ' 14' ' ' TYR . 0.4 OUTLIER -117.69 146.08 43.97 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.623 179.662 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.5 mttp -125.97 133.92 51.67 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.648 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.471 ' HG3' HG23 ' A' ' 48' ' ' ILE . 0.4 OUTLIER -143.68 126.87 16.57 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.77 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 32.5 t -108.18 116.24 51.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.894 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.687 HG12 ' HA ' ' A' ' 45' ' ' VAL . 28.5 m -121.01 167.13 14.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.777 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.234 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.056 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 120.515 0.198 . . . . 0.0 111.247 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.13 120.33 41.95 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.009 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' VAL . . . . . 0.691 HG11 ' CD1' ' A' ' 39' ' ' ILE . 21.3 t -103.57 130.36 54.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.981 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 1.3 m -128.68 105.83 8.53 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.786 0.327 . . . . 0.0 110.734 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 85.2 mt -98.14 158.76 15.36 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 22.8 t -130.68 101.59 5.8 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 CA-C-O 120.975 0.417 . . . . 0.0 111.224 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.464 ' HB2' ' CE1' ' B' ' 14' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.061 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 . . . . . 0 CA--C 1.534 0.334 0 CA-C-O 120.614 0.245 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . 0.861 ' CE2' HD12 ' A' ' 72' ' ' LEU . 45.2 m-85 -52.87 -43.45 66.12 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.253 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.88 40.45 90.21 Favored Glycine 0 C--N 1.337 0.6 0 C-N-CA 121.223 -0.513 . . . . 0.0 112.969 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.715 HD23 ' HB3' ' B' ' 14' ' ' TYR . 2.7 pp -106.03 120.28 41.37 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.974 0.416 . . . . 0.0 110.951 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.514 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -76.27 111.51 11.78 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.6 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.661 HD11 ' CG2' ' A' ' 22' ' ' ILE . 0.2 OUTLIER -97.04 141.04 30.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.289 -179.456 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.516 ' N ' HD13 ' B' ' 18' ' ' LEU . . . -144.48 166.37 25.33 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.962 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . 0.548 ' HB3' HD13 ' A' ' 58' ' ' LEU . 79.4 p -130.84 149.79 52.31 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.875 0.369 . . . . 0.0 111.596 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' HIS . . . . . 0.436 ' HD2' ' CE1' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -115.12 179.95 3.81 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.772 179.802 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.751 HG23 HD11 ' A' ' 18' ' ' LEU . 31.1 mm -133.58 139.92 47.82 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 CA-C-O 120.725 0.298 . . . . 0.0 111.375 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.419 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 10.2 p90 -149.62 176.75 10.37 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.092 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.9 t -100.75 113.46 36.72 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.026 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.511 ' HB2' ' HB2' ' A' ' 19' ' ' ALA . 9.7 tptp -65.64 -34.71 78.86 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.425 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -177.82 173.12 1.61 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.79 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 3.1 mp -137.5 136.35 46.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.917 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 1.5 m -79.8 155.81 27.7 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.196 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -79.15 158.9 27.64 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.867 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 58.78 30.62 20.27 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.243 -179.577 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 3.2 m -109.92 172.02 7.11 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.975 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.874 HD12 ' HA ' ' A' ' 14' ' ' TYR . 4.4 mt -59.18 -42.45 90.88 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.848 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.558 ' HB1' ' HB ' ' B' ' 39' ' ' ILE . . . -65.39 -43.71 89.78 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.156 179.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.4 -37.18 77.35 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.137 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -79.55 -39.61 31.45 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.017 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.0 -35.39 80.56 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.409 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.83 37.01 91.98 Favored Glycine 0 C--N 1.336 0.532 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.457 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.706 ' HB3' HG13 ' A' ' 3' ' ' VAL . 2.7 m-80 -122.1 -45.84 2.22 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.454 0.169 . . . . 0.0 111.3 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . 0.558 ' HB ' ' HB1' ' B' ' 33' ' ' ALA . 31.6 mt -83.33 114.39 23.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -119.55 159.1 24.98 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.975 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -62.81 123.45 18.48 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.712 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.01 -18.1 50.48 Favored Glycine 0 CA--C 1.523 0.533 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.845 -179.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -55.09 117.98 3.94 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.778 0.323 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.2 t -85.7 113.92 24.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.0 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . 0.449 ' HA ' HG12 ' B' ' 76' ' ' VAL . 18.6 t -88.7 121.73 39.25 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -89.49 -47.14 8.19 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.708 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . 0.432 ' HG3' ' HA ' ' B' ' 52' ' ' VAL . 0.0 OUTLIER -135.5 155.88 49.8 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.164 -179.823 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.61 HG22 HD22 ' B' ' 49' ' ' ASN . 29.8 mt -132.82 123.18 48.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.927 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' ASN . . . . . 0.61 HD22 HG22 ' B' ' 48' ' ' ILE . 12.8 p30 43.79 40.87 3.36 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.065 0.546 . . . . 0.0 111.683 -179.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.57 35.3 36.98 Favored Glycine 0 CA--C 1.521 0.455 0 C-N-CA 120.907 -0.664 . . . . 0.0 113.05 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.37 123.25 12.71 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.763 0.282 . . . . 0.0 110.319 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.652 HG12 ' H ' ' B' ' 54' ' ' GLU . 10.2 t -67.1 132.98 32.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.528 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.43 18.83 21.06 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.531 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . 0.652 ' H ' HG12 ' B' ' 52' ' ' VAL . 0.0 OUTLIER -80.98 150.76 28.79 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.345 179.158 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . 0.764 ' HA ' HD22 ' A' ' 58' ' ' LEU . 5.3 p30 55.63 13.69 1.06 Allowed 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.477 -179.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 1.7 ttm -95.18 139.2 31.84 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.609 0.242 . . . . 0.0 110.64 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 2.9 m -60.56 144.72 50.94 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.712 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 58.1 tp -53.84 -32.92 54.6 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.851 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.51 -41.94 65.36 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.518 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -60.09 -40.11 88.46 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.534 179.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.73 -37.9 74.38 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 5.9 mmmt -60.85 -34.08 74.04 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.649 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.41 -40.04 95.01 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.087 179.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 2.9 mt -55.7 -34.59 65.21 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.828 0.347 . . . . 0.0 110.52 179.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . 0.625 ' HA ' HD11 ' B' ' 72' ' ' LEU . 37.5 mt -72.1 -32.24 42.78 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.905 179.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -76.98 -48.42 18.07 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.785 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -16.68 61.01 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.76 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 31.3 t -50.36 114.6 1.16 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.737 0.303 . . . . 0.0 111.108 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.56 75.24 3.27 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.602 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 85.61 -90.89 1.67 Allowed Glycine 0 C--N 1.333 0.405 0 C-N-CA 121.001 -0.618 . . . . 0.0 112.771 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . 0.499 ' HG2' HG22 ' A' ' 6' ' ' VAL . 0.9 OUTLIER -77.94 147.68 34.86 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.747 0.308 . . . . 0.0 111.278 -179.836 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.735 HD12 ' CE1' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -124.78 129.53 50.63 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.963 179.848 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -106.47 132.68 52.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.435 179.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 4.5 mtp -133.25 119.09 19.36 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.822 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 25.3 t -99.02 117.57 44.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.979 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.449 HG12 ' HA ' ' B' ' 45' ' ' VAL . 27.8 m -117.19 167.75 9.84 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.402 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 . . . . . 0 C--O 1.233 0.217 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.959 179.788 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.142 0 CA-C-O 120.708 0.29 . . . . 0.0 110.671 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.884 HG11 HD11 ' B' ' 39' ' ' ILE . 22.8 t -110.52 123.1 66.12 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.031 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.42 HG21 ' HE3' ' B' ' 71' ' ' LYS . 8.9 m -128.93 107.2 9.44 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.856 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.6 mt -104.94 138.57 40.96 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.409 ' O ' HD22 ' B' ' 32' ' ' LEU . 22.5 t -110.29 101.78 13.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-O 120.863 0.363 . . . . 0.0 111.189 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.461 ' HB2' ' CE1' ' A' ' 14' ' ' TYR . 1.8 ttmt . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.713 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 . . . . . 0 C--O 1.234 0.262 0 CA-C-O 120.839 0.352 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.851 ' CE2' HD12 ' B' ' 72' ' ' LEU . 21.7 m-85 -64.29 -31.82 73.18 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.038 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.31 25.84 41.95 Favored Glycine 0 C--N 1.34 0.759 0 C-N-CA 121.274 -0.489 . . . . 0.0 113.375 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.785 HD23 ' HB3' ' A' ' 14' ' ' TYR . 2.7 pp -94.29 118.41 31.55 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.911 0.386 . . . . 0.0 110.802 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.499 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 8.1 mmt85 -73.48 116.75 14.42 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.589 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.766 HD11 ' CG2' ' B' ' 22' ' ' ILE . 0.5 OUTLIER -103.56 132.52 49.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.53 -179.212 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.606 ' N ' HD13 ' A' ' 18' ' ' LEU . . . -136.62 175.02 9.99 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.843 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.6 p -132.2 143.99 50.34 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.843 0.354 . . . . 0.0 111.75 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.439 ' HD2' ' CE1' ' B' ' 23' ' ' PHE . 0.1 OUTLIER -116.3 -179.72 3.75 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.927 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.6 ' CG2' HD11 ' B' ' 18' ' ' LEU . 23.3 mm -129.65 140.69 48.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.179 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.545 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 3.6 p90 -148.56 175.74 10.91 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.206 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.6 t -108.45 115.57 49.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.124 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.515 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 9.3 tptp -59.89 -45.25 93.12 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -175.33 174.8 2.3 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.014 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.468 HD11 ' CA ' ' A' ' 40' ' ' GLN . 2.0 mp -124.71 134.27 67.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.4 t -74.34 150.93 39.88 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.978 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -74.35 148.81 40.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.826 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 58.71 37.5 25.1 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.074 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.1 p -112.37 171.6 7.42 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.84 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.417 ' HB2' ' HA ' ' B' ' 14' ' ' TYR . 28.1 mt -60.59 -41.14 94.11 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.95 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.536 ' CB ' HD12 ' A' ' 39' ' ' ILE . . . -62.28 -43.58 98.51 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.039 179.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.09 -36.57 82.08 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.11 179.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -79.2 -42.19 26.61 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.626 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.29 -35.19 75.0 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.221 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.12 36.87 92.48 Favored Glycine 0 C--N 1.336 0.531 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.667 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.555 ' HB3' HG22 ' B' ' 3' ' ' VAL . 30.3 m-80 -118.45 -43.54 2.7 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.717 0.258 . . . . 0.0 111.35 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.868 HD11 HD11 ' B' ' 5' ' ' LEU . 12.6 mt -84.48 137.54 20.7 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.039 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.468 ' CA ' HD11 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -138.62 146.59 41.91 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.717 179.673 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.99 122.35 12.11 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.836 0.35 . . . . 0.0 110.731 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.23 -16.46 49.4 Favored Glycine 0 CA--C 1.523 0.545 0 C-N-CA 120.8 -0.714 . . . . 0.0 113.022 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.39 144.5 20.59 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.9 0.35 . . . . 0.0 111.135 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.5 t -109.86 99.28 8.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.183 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.0 t -77.79 126.54 38.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.331 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.423 HD12 ' HD2' ' A' ' 47' ' ' LYS . 0.2 OUTLIER -91.22 -45.18 8.78 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.114 179.809 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.671 ' HG3' HG22 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -129.51 155.26 46.05 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.995 0.426 . . . . 0.0 111.632 -179.604 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.606 HD12 HG21 ' A' ' 53' ' ' THR . 31.3 mt -137.49 121.84 23.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.389 179.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 57.28 33.61 23.55 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.208 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.46 33.55 34.66 Favored Glycine 0 CA--C 1.522 0.518 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.935 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.42 129.71 11.27 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.712 0.256 . . . . 0.0 110.773 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.694 HG12 ' H ' ' A' ' 54' ' ' GLU . 27.8 t -72.88 135.12 28.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.583 179.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.606 HG21 HD12 ' A' ' 48' ' ' ILE . 0.9 OUTLIER -108.35 28.49 8.27 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.366 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.694 ' H ' HG12 ' A' ' 52' ' ' VAL . 5.9 tt0 -84.88 143.85 28.77 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.966 179.041 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.611 ' HA ' HD22 ' B' ' 58' ' ' LEU . 3.1 m120 63.92 13.93 7.99 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.835 -179.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -98.59 -173.21 2.48 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 120.781 0.324 . . . . 0.0 110.951 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.95 151.34 21.0 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.709 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.486 HD13 ' HA ' ' B' ' 55' ' ' ASN . 12.9 tp -56.65 -29.79 62.66 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.711 179.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.88 -37.01 83.61 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.737 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -56.74 -45.21 82.13 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.832 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.53 -39.71 73.84 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.713 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -65.8 -35.76 81.6 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.905 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.21 -46.82 82.21 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.912 179.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.413 HD13 ' HB ' ' A' ' 48' ' ' ILE . 0.7 OUTLIER -56.24 -37.13 69.33 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.827 0.346 . . . . 0.0 110.588 179.66 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.3 mt -76.86 -30.07 18.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.73 179.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.53 -52.03 24.58 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-O 120.735 0.303 . . . . 0.0 110.972 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -60.38 -33.14 72.04 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.19 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.415 ' CB ' ' HG ' ' A' ' 72' ' ' LEU . 3.1 m -58.54 115.95 3.35 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.729 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.83 68.1 0.87 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.244 -179.377 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.458 ' HA2' ' HG3' ' B' ' 7' ' ' LYS . . . 135.68 -95.94 0.26 Allowed Glycine 0 C--N 1.333 0.379 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.837 179.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.418 ' HE3' HG21 ' B' ' 4' ' ' THR . 0.6 OUTLIER -90.0 115.58 27.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 0.0 111.353 -179.529 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.762 HD12 ' CE2' ' B' ' 14' ' ' TYR . 0.6 OUTLIER -99.66 149.18 23.56 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.751 179.578 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.408 ' HG3' HG23 ' B' ' 4' ' ' THR . 1.1 tttt -126.05 135.05 51.31 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.902 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.429 ' HG2' HG23 ' A' ' 48' ' ' ILE . 26.6 mtm -147.65 125.22 11.73 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.707 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.6 t -98.23 127.51 50.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.714 0.292 . . . . 0.0 111.174 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.423 HG12 ' N ' ' A' ' 77' ' ' GLN . 3.2 t -111.23 164.52 7.1 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.423 ' N ' HG12 ' A' ' 76' ' ' VAL . 35.6 mt-30 . . . . . 0 N--CA 1.464 0.242 0 CA-C-O 120.706 0.289 . . . . 0.0 111.185 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' THR . . . . . 0.402 ' HB ' ' HB ' ' A' ' 76' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 120.653 0.263 . . . . 0.0 111.027 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -89.75 120.04 30.67 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' VAL . . . . . 0.555 HG22 ' HB3' ' A' ' 38' ' ' ASN . 59.5 t -103.55 121.04 54.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.038 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . 0.418 HG21 ' HE3' ' A' ' 71' ' ' LYS . 0.3 OUTLIER -128.27 105.75 8.56 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.068 179.834 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.868 HD11 HD11 ' A' ' 39' ' ' ILE . 58.0 mt -94.58 159.19 15.2 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.488 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 20.3 t -137.95 101.53 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-O 120.923 0.392 . . . . 0.0 111.305 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.458 ' HG3' ' HA2' ' A' ' 70' ' ' GLY . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.183 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.797 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.23 0 CA-C-O 120.666 0.27 . . . . 0.0 110.55 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . 0.762 ' CE2' HD12 ' A' ' 72' ' ' LEU . 71.6 m-85 -58.82 -32.46 69.4 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.935 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.08 46.38 93.84 Favored Glycine 0 C--N 1.337 0.619 0 C-N-CA 121.313 -0.47 . . . . 0.0 113.111 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.571 HD23 ' HB3' ' B' ' 14' ' ' TYR . 3.2 pp -121.3 127.92 51.81 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.834 0.35 . . . . 0.0 111.076 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.515 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 4.1 mmt180 -85.09 112.79 20.98 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.59 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.697 HD13 ' N ' ' B' ' 19' ' ' ALA . 1.0 OUTLIER -100.05 135.74 41.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.434 -179.556 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.697 ' N ' HD13 ' B' ' 18' ' ' LEU . . . -141.24 167.59 21.82 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.573 179.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . 0.403 ' OG ' ' HA ' ' B' ' 55' ' ' ASN . 58.4 p -121.59 151.05 40.81 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.018 0.437 . . . . 0.0 111.702 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' HIS . . . . . 0.455 ' HD2' ' CE1' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -122.4 177.94 5.17 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.795 179.916 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.766 ' CG2' HD11 ' A' ' 18' ' ' LEU . 32.6 mm -130.65 143.09 41.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.082 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 7.8 p90 -149.45 178.62 8.64 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.254 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.501 HG21 HG23 ' B' ' 39' ' ' ILE . 39.9 t -105.09 110.86 32.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.012 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.499 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 4.6 tttp -62.18 -38.44 89.08 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -171.18 172.59 5.27 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.848 0.356 . . . . 0.0 111.052 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . 0.527 HD11 ' C ' ' B' ' 40' ' ' GLN . 2.9 mp -130.12 133.61 64.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 2.2 m -70.16 154.56 41.77 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.237 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -81.82 143.12 31.97 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.95 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 57.44 31.76 20.73 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.154 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.58 174.48 5.88 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.953 0.406 . . . . 0.0 110.817 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.409 HD22 ' O ' ' A' ' 6' ' ' VAL . 21.8 mt -57.31 -37.11 71.97 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.37 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.567 ' HB1' ' HB ' ' B' ' 39' ' ' ILE . . . -66.66 -40.44 88.62 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.682 -0.236 . . . . 0.0 111.011 179.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.14 -45.14 86.22 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.0 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -64.34 -37.64 88.23 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.738 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.15 -35.95 66.56 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.132 179.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.25 29.57 71.95 Favored Glycine 0 C--N 1.334 0.454 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.543 -179.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.633 ' HB3' HG22 ' A' ' 3' ' ' VAL . 2.9 m-80 -107.99 -31.74 7.85 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 111.591 0.219 . . . . 0.0 111.591 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . 0.884 HD11 HG11 ' A' ' 3' ' ' VAL . 29.3 mm -89.46 129.46 40.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-O 120.695 0.283 . . . . 0.0 111.254 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.527 ' C ' HD11 ' B' ' 27' ' ' ILE . 6.2 tt0 -129.65 153.68 47.87 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -61.06 112.87 2.26 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.738 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.56 -13.77 56.6 Favored Glycine 0 CA--C 1.523 0.558 0 C-N-CA 120.865 -0.683 . . . . 0.0 113.036 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.64 127.63 28.91 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.904 0.352 . . . . 0.0 111.094 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 29.0 t -86.63 133.89 28.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.563 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 23.8 t -108.47 118.89 57.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.843 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.15 -46.3 8.92 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.178 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 11.1 mtmt -124.93 153.75 42.21 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.84 0.352 . . . . 0.0 111.341 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.675 HG22 ' ND2' ' B' ' 49' ' ' ASN . 25.6 mt -142.46 124.4 12.9 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.484 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' ASN . . . . . 0.675 ' ND2' HG22 ' B' ' 48' ' ' ILE . 64.6 m-80 57.18 32.3 21.49 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.371 -179.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.28 26.09 62.37 Favored Glycine 0 CA--C 1.522 0.486 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.741 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 2.3 m -139.5 138.44 36.36 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.688 0.28 . . . . 0.0 110.74 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.657 HG12 ' H ' ' B' ' 54' ' ' GLU . 23.2 t -68.07 140.95 18.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.482 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.9 27.38 8.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.253 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . 0.657 ' H ' HG12 ' B' ' 52' ' ' VAL . 0.1 OUTLIER -90.49 150.47 21.78 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 120.731 0.3 . . . . 0.0 110.418 179.108 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . 0.486 ' HA ' HD13 ' A' ' 58' ' ' LEU . 7.3 p30 52.0 17.35 0.65 Allowed 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.39 -179.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -100.67 164.18 11.99 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.744 0.307 . . . . 0.0 110.745 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 5.8 t -72.37 143.14 48.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.696 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.611 HD22 ' HA ' ' A' ' 55' ' ' ASN . 55.0 tp -56.3 -33.34 65.44 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.708 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.51 -40.38 92.95 Favored 'General case' 0 CA--C 1.527 0.089 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.471 179.462 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.76 -38.53 67.31 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.48 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.51 -39.75 94.35 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.9 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.2 -36.39 83.48 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.242 179.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.1 -40.91 97.46 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.924 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.66 HD13 ' HB ' ' B' ' 48' ' ' ILE . 11.9 mt -56.79 -34.73 67.94 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.794 0.33 . . . . 0.0 110.266 179.386 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 38.6 mt -70.41 -30.5 43.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.593 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -74.83 -38.25 62.08 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 120.809 0.337 . . . . 0.0 110.583 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -27.93 68.87 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.577 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 26.5 p -60.43 116.58 4.41 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.993 0.425 . . . . 0.0 111.064 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 3.0 mtmm -100.31 35.63 2.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.006 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 137.86 -75.34 0.38 Allowed Glycine 0 C--N 1.333 0.383 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.48 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . 0.42 ' HE3' HG21 ' A' ' 4' ' ' THR . 7.7 tttp -83.22 123.26 29.4 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.883 0.373 . . . . 0.0 111.195 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.851 HD12 ' CE2' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -117.02 132.06 56.79 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.623 179.662 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 2.5 mttp -112.22 136.3 51.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.702 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.581 ' HG2' HG23 ' B' ' 48' ' ' ILE . 19.8 mtm -144.95 121.04 10.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.549 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 19.8 t -97.75 124.04 50.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.265 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 31.0 m -113.08 165.07 8.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.34 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 . . . . . 0 N--CA 1.463 0.204 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.374 -179.877 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? . . . . . 0 C--O 1.233 0.202 0 CA-C-O 120.8 0.333 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.799 HG13 ' HB2' ' B' ' 38' ' ' ASN . 16.0 t -120.58 129.66 75.36 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.123 -179.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.0 m -127.71 119.27 25.44 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.793 0.33 . . . . 0.0 111.058 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.519 HD22 ' N ' ' A' ' 5' ' ' LEU . 2.8 mm? -115.06 158.72 21.74 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.0 t -132.08 101.55 4.95 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.054 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.425 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 8.4 ttmt . . . . . 0 CA--C 1.531 0.237 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.15 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.455 -0.196 0 CA-C-O 120.887 0.375 . . . . 0.0 111.271 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.592 ' HA ' HD12 ' B' ' 32' ' ' LEU . 74.3 m-85 -75.59 -25.82 57.35 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.299 179.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.8 38.74 89.74 Favored Glycine 0 C--N 1.337 0.633 0 C-N-CA 121.147 -0.549 . . . . 0.0 112.985 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.581 HD12 ' O ' ' A' ' 16' ' ' LEU . 3.3 pp -128.52 135.61 49.65 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.838 0.352 . . . . 0.0 110.985 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.618 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.6 OUTLIER -93.45 122.95 36.41 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.695 179.765 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.606 HD11 ' CG2' ' B' ' 22' ' ' ILE . 0.2 OUTLIER -101.57 140.97 35.14 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.49 -179.595 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.474 ' HB3' ' CZ ' ' B' ' 23' ' ' PHE . . . -147.33 165.49 30.0 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.855 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.423 ' OG ' ' HA ' ' A' ' 55' ' ' ASN . 81.6 p -131.73 151.8 51.38 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.978 0.418 . . . . 0.0 111.666 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.402 ' HD2' ' CE1' ' B' ' 23' ' ' PHE . 0.1 OUTLIER -121.19 179.14 4.49 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.863 179.844 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.742 ' CG2' HD11 ' B' ' 18' ' ' LEU . 35.0 mm -130.54 142.15 44.44 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.998 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.539 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 6.4 p90 -149.68 176.61 10.52 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.199 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.448 HG21 HG23 ' A' ' 39' ' ' ILE . 24.9 t -103.66 111.17 32.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.784 179.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.47 ' HB3' ' HG2' ' B' ' 17' ' ' ARG . 6.1 tptt -60.39 -37.25 80.18 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.379 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.428 ' HG2' ' CB ' ' B' ' 17' ' ' ARG . 1.1 pt-20 -179.55 171.56 1.22 Allowed 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.738 0.304 . . . . 0.0 111.085 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.42 ' CG2' ' HB3' ' A' ' 33' ' ' ALA . 3.3 mp -126.07 136.85 59.59 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.978 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.4 m -75.64 156.27 35.03 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.22 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -80.78 149.74 29.5 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.954 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 58.18 33.87 23.58 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.139 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.9 p -108.24 174.57 5.82 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.119 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.489 HD11 ' HA ' ' B' ' 7' ' ' LYS . 8.8 mt -61.57 -41.41 97.35 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.934 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.422 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -63.7 -41.06 98.17 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.887 179.394 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.88 -37.51 82.41 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.952 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.69 -42.35 41.99 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.127 179.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.96 -36.96 85.68 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.237 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.2 33.01 77.21 Favored Glycine 0 C--N 1.336 0.552 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.747 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.558 ' CB ' HG13 ' B' ' 3' ' ' VAL . 6.1 m-80 -112.67 -39.17 4.39 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 120.442 0.163 . . . . 0.0 111.325 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.807 HD11 HG11 ' B' ' 3' ' ' VAL . 19.4 mm -85.3 126.35 40.4 Favored 'Isoleucine or valine' 0 C--O 1.232 0.145 0 CA-C-O 120.697 0.284 . . . . 0.0 110.935 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -129.44 153.94 47.45 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.922 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -58.73 124.99 21.6 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.958 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.59 -9.77 73.47 Favored Glycine 0 CA--C 1.523 0.593 0 C-N-CA 120.869 -0.681 . . . . 0.0 113.324 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -56.94 121.15 9.24 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 117.198 0.499 . . . . 0.0 110.865 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.7 t -83.5 120.83 35.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.944 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.651 HG22 HG12 ' A' ' 76' ' ' VAL . 23.5 t -91.35 134.06 31.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.263 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -106.48 -39.48 5.86 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.135 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -138.41 155.99 47.99 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.93 0.395 . . . . 0.0 111.455 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.673 ' HB ' HD13 ' A' ' 64' ' ' LEU . 23.9 mt -142.57 123.97 12.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.517 179.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 57.81 33.37 23.13 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.202 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.2 32.67 51.58 Favored Glycine 0 C--N 1.337 0.614 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.735 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.3 m -145.27 143.56 30.29 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.698 0.249 . . . . 0.0 110.904 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.494 HG12 ' H ' ' A' ' 54' ' ' GLU . 16.7 t -77.11 139.42 18.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.64 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.495 HG21 HD12 ' A' ' 48' ' ' ILE . 0.7 OUTLIER -122.66 35.85 4.78 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.433 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.494 ' H ' HG12 ' A' ' 52' ' ' VAL . 0.2 OUTLIER -93.49 142.75 26.98 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.753 0.311 . . . . 0.0 110.236 179.237 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.568 ' HB3' HD22 ' B' ' 58' ' ' LEU . 8.4 m-20 62.77 14.05 6.98 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.738 -0.664 . . . . 0.0 112.063 -179.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.1 tpp -96.24 161.23 14.04 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.735 0.302 . . . . 0.0 110.841 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.49 145.66 49.04 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.635 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.64 HD11 ' HA ' ' B' ' 19' ' ' ALA . 13.8 tp -54.98 -32.63 61.82 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.979 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.3 -38.47 87.82 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.673 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -57.29 -46.0 83.59 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.744 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.76 -37.17 73.18 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.005 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.9 mmtt -65.95 -37.44 86.03 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.653 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.13 -44.37 92.04 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.188 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.673 HD13 ' HB ' ' A' ' 48' ' ' ILE . 1.8 mt -56.49 -36.77 69.5 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.766 0.317 . . . . 0.0 110.418 179.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 33.3 mt -73.56 -30.64 30.19 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.932 179.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -76.78 -48.54 18.31 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.019 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.59 -28.63 65.75 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.357 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.4 m -58.17 104.5 0.21 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.857 0.36 . . . . 0.0 111.186 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.3 mttm -66.44 -35.55 80.58 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.401 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.503 ' O ' ' HG2' ' B' ' 7' ' ' LYS . . . -152.85 -95.86 0.12 Allowed Glycine 0 C--N 1.337 0.6 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.893 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.618 ' HG2' HG22 ' B' ' 6' ' ' VAL . 12.9 mttt -60.37 123.63 17.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.753 0.311 . . . . 0.0 111.336 -179.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.853 HD12 ' CZ ' ' B' ' 14' ' ' TYR . 0.6 OUTLIER -109.63 148.62 31.0 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.955 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -125.51 129.57 50.02 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.735 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.443 ' HE3' HD12 ' A' ' 39' ' ' ILE . 0.6 OUTLIER -139.52 126.49 20.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.677 179.881 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 24.5 t -100.01 110.96 28.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.774 0.321 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.651 HG12 HG22 ' A' ' 45' ' ' VAL . 28.2 m -121.5 173.79 6.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.474 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 . . . . . 0 C--O 1.233 0.195 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.605 179.443 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 120.682 0.277 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.79 125.81 52.35 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.97 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' VAL . . . . . 0.807 HG11 HD11 ' A' ' 39' ' ' ILE . 17.5 t -106.59 127.87 61.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.804 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 18.9 m -128.34 116.69 20.19 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.874 0.369 . . . . 0.0 111.13 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.512 HD22 ' N ' ' B' ' 5' ' ' LEU . 3.0 mm? -110.52 160.24 16.81 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.455 179.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . 0.618 HG22 ' HG2' ' A' ' 71' ' ' LYS . 21.8 t -136.74 100.01 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.225 0 CA-C-O 120.742 0.306 . . . . 0.0 111.31 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.503 ' HG2' ' O ' ' A' ' 70' ' ' GLY . 10.3 ptmm? . . . . . 0 N--CA 1.466 0.327 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.178 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 . . . . . 0 N--CA 1.449 -0.489 0 CA-C-O 120.712 0.291 . . . . 0.0 110.786 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . 0.853 ' CZ ' HD12 ' A' ' 72' ' ' LEU . 6.6 m-85 -74.69 -31.6 61.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.941 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.54 44.81 95.25 Favored Glycine 0 C--N 1.338 0.685 0 C-N-CA 121.106 -0.569 . . . . 0.0 112.941 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.502 HD23 ' CB ' ' B' ' 14' ' ' TYR . 2.5 pp -115.04 118.57 33.77 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.045 0.45 . . . . 0.0 110.863 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.47 ' HG2' ' HB3' ' A' ' 25' ' ' LYS . 16.7 tpp180 -74.76 115.5 14.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.323 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.742 HD11 ' CG2' ' A' ' 22' ' ' ILE . 1.1 tm? -98.99 124.68 44.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.228 -179.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.64 ' HA ' HD11 ' A' ' 58' ' ' LEU . . . -129.24 169.88 14.27 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.775 179.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 89.4 p -129.68 152.83 48.76 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.965 0.412 . . . . 0.0 111.497 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' HIS . . . . . 0.425 ' HD2' ' CE1' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -120.97 179.02 4.5 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.502 179.653 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.606 ' CG2' HD11 ' A' ' 18' ' ' LEU . 26.3 mm -132.86 141.96 43.58 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-O 120.746 0.308 . . . . 0.0 111.339 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 11.2 p90 -149.54 -179.55 7.18 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.238 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.489 HG21 HG23 ' B' ' 39' ' ' ILE . 22.4 t -105.62 112.7 40.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.915 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.618 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 11.0 tptt -62.34 -37.79 87.0 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.291 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -175.85 173.47 2.31 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.054 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . 0.472 HD12 ' HG3' ' B' ' 41' ' ' GLU . 3.4 mp -140.53 135.35 35.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.477 179.621 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 52.6 p -85.69 143.87 28.13 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.896 0.379 . . . . 0.0 110.846 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -71.41 161.17 31.48 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.926 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 58.49 30.86 20.31 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.081 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 34.3 m -115.85 176.87 4.89 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.678 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.592 HD12 ' HA ' ' A' ' 14' ' ' TYR . 61.0 mt -57.17 -38.77 74.08 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.035 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.73 ' HB2' HD12 ' B' ' 39' ' ' ILE . . . -68.04 -42.62 80.29 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.318 179.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.47 -45.82 92.35 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.935 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.38 -34.64 74.85 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.535 179.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -70.11 -40.67 74.76 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.244 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.25 30.72 69.25 Favored Glycine 0 C--N 1.335 0.481 0 C-N-CA 121.05 -0.595 . . . . 0.0 113.095 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.799 ' HB2' HG13 ' A' ' 3' ' ' VAL . 68.8 m-20 -116.89 -37.85 3.53 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.889 0.345 . . . . 0.0 111.777 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . 0.73 HD12 ' HB2' ' B' ' 33' ' ' ALA . 22.8 mt -85.14 123.58 39.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-O 120.662 0.268 . . . . 0.0 110.955 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -129.48 153.68 47.74 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.472 ' HG3' HD12 ' B' ' 27' ' ' ILE . 0.9 OUTLIER -61.94 121.94 14.22 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.741 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.75 -18.04 48.06 Favored Glycine 0 CA--C 1.522 0.494 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.968 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -56.29 131.12 47.19 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.85 0.325 . . . . 0.0 111.059 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.9 t -100.87 116.85 45.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.695 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 32.9 t -94.86 131.32 42.01 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.179 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.2 pp -103.5 -37.27 7.65 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.441 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -130.61 147.79 52.33 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.734 0.302 . . . . 0.0 110.906 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 23.4 mt -135.38 112.16 13.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.725 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 60.43 34.55 20.54 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.205 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.07 28.1 46.82 Favored Glycine 0 C--N 1.336 0.571 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.928 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -139.11 122.09 16.71 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.841 0.321 . . . . 0.0 110.692 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.629 HG12 ' H ' ' B' ' 54' ' ' GLU . 15.4 t -61.4 142.28 16.38 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.47 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.427 ' CG2' HG13 ' B' ' 22' ' ' ILE . 0.2 OUTLIER -118.81 25.08 10.47 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.436 -179.808 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . 0.629 ' H ' HG12 ' B' ' 52' ' ' VAL . 0.0 OUTLIER -88.62 148.52 24.01 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 179.456 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . 0.58 ' HB2' HD22 ' A' ' 58' ' ' LEU . 7.6 p30 52.05 18.52 0.85 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.341 -179.487 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 1.7 ttm -99.52 153.3 19.14 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 120.602 0.239 . . . . 0.0 110.656 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 5.8 p -66.12 145.24 56.06 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.626 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.568 HD22 ' HB3' ' A' ' 55' ' ' ASN . 18.1 tp -56.18 -31.75 63.7 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.78 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.08 -37.79 88.65 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.72 179.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -56.61 -46.09 81.09 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.807 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.23 -38.95 74.54 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.781 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -64.89 -36.98 86.11 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.601 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.17 -40.81 98.63 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.966 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 5.2 mt -56.64 -34.43 67.29 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.738 0.304 . . . . 0.0 110.609 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 32.0 mt -73.78 -29.73 26.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 179.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -78.69 -46.56 18.8 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.629 0.252 . . . . 0.0 110.816 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 67.1 ttp85 -62.24 -20.92 64.73 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.62 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 52.8 p -51.43 108.94 0.3 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 121.033 0.444 . . . . 0.0 110.922 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -31.14 72.0 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.155 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -169.39 -70.81 0.04 OUTLIER Glycine 0 C--N 1.336 0.562 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.372 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 8.2 ptpt -87.42 134.85 33.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.832 0.348 . . . . 0.0 111.085 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.41 HD12 ' CZ ' ' A' ' 14' ' ' TYR . 0.6 OUTLIER -111.48 141.65 44.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.691 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -125.37 134.06 52.32 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.905 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 1.4 mpp? -129.12 152.52 48.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.711 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 20.1 t -124.57 111.38 28.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.188 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.4 t -100.46 157.35 4.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.238 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.252 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.203 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.675 ' HG2' HG22 ' B' ' 75' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.128 0 CA-C-O 120.767 0.318 . . . . 0.0 110.723 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.744 HG11 ' CD1' ' B' ' 39' ' ' ILE . 12.0 t -103.68 131.32 52.54 Favored 'Isoleucine or valine' 0 C--O 1.231 0.114 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.974 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.406 HG23 ' HG3' ' B' ' 73' ' ' LYS . 4.1 m -129.1 105.86 8.46 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-O 120.831 0.348 . . . . 0.0 111.116 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.492 HD22 ' N ' ' A' ' 5' ' ' LEU . 2.7 mm? -94.34 157.83 15.85 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.872 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.419 ' O ' HD22 ' B' ' 32' ' ' LEU . 20.1 t -132.85 102.79 5.4 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 CA-C-O 120.942 0.401 . . . . 0.0 111.257 179.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm . . . . . 0 C--O 1.232 0.171 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.672 179.688 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.234 0.264 0 CA-C-O 120.47 0.176 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.768 ' HB3' HD23 ' A' ' 16' ' ' LEU . 65.6 m-85 -51.35 -40.18 58.59 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.833 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.96 46.91 90.64 Favored Glycine 0 C--N 1.337 0.628 0 CA-C-N 116.058 -0.519 . . . . 0.0 113.349 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.768 HD23 ' HB3' ' A' ' 14' ' ' TYR . 3.0 pp -122.92 122.13 37.86 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.91 0.386 . . . . 0.0 110.936 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.507 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -79.26 112.41 16.46 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.538 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.757 HD11 ' CG2' ' B' ' 22' ' ' ILE . 0.2 OUTLIER -96.42 139.65 32.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.53 -179.356 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.49 ' N ' HD13 ' A' ' 18' ' ' LEU . . . -142.82 164.94 28.73 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.053 179.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.404 ' HB3' HD12 ' B' ' 58' ' ' LEU . 54.2 p -126.96 152.64 46.9 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.966 0.412 . . . . 0.0 111.465 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.507 ' HE1' HD11 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -120.99 176.1 5.73 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.818 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.79 ' CG2' HD11 ' B' ' 18' ' ' LEU . 26.1 mm -132.2 140.69 47.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.389 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.483 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 12.5 p90 -149.49 179.92 7.59 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.22 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -106.09 113.48 42.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.976 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.512 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 9.7 tptt -63.63 -38.06 89.67 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.195 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -175.3 173.08 2.6 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.854 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.426 ' CG2' ' HB3' ' A' ' 33' ' ' ALA . 3.6 mp -136.86 138.22 46.3 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.907 179.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.6 m -84.35 149.09 26.27 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.117 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -77.17 158.98 30.06 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.114 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 57.98 31.24 20.36 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.304 -179.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.16 178.14 4.39 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.853 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.501 HD22 ' O ' ' B' ' 6' ' ' VAL . 80.7 mt -58.4 -35.96 72.83 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.968 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.426 ' HB3' ' CG2' ' A' ' 27' ' ' ILE . . . -68.98 -38.53 79.39 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.244 179.293 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.08 -48.63 73.06 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.158 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.96 -40.8 97.26 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.896 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -68.89 -41.58 78.11 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.163 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.79 37.17 93.15 Favored Glycine 0 CA--C 1.521 0.447 0 C-N-CA 121.116 -0.564 . . . . 0.0 112.97 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.686 ' CB ' HG13 ' B' ' 3' ' ' VAL . 22.6 m-80 -120.42 4.84 10.7 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.605 HD11 HD21 ' B' ' 5' ' ' LEU . 3.7 mt -128.04 131.19 69.69 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-O 120.618 0.247 . . . . 0.0 111.033 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 -123.32 157.77 32.49 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -62.41 118.43 7.5 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.764 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.89 -1.18 55.21 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 120.966 -0.635 . . . . 0.0 113.279 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.35 134.12 56.72 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 117.167 0.483 . . . . 0.0 110.905 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 36.5 t -97.08 115.07 35.71 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.021 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 20.1 t -90.45 128.4 42.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.337 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.507 HD11 ' HE1' ' A' ' 21' ' ' HIS . 3.8 mp -102.79 -43.52 5.54 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.013 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.61 152.22 51.71 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.776 0.322 . . . . 0.0 111.554 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.412 HG22 ' ND2' ' A' ' 49' ' ' ASN . 25.5 mt -139.08 125.37 23.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.806 179.47 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.412 ' ND2' HG22 ' A' ' 48' ' ' ILE . 18.5 p30 44.13 37.52 1.9 Allowed 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.905 -179.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.72 37.5 22.92 Favored Glycine 0 C--N 1.338 0.645 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.766 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.2 m -145.58 126.11 14.13 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.559 0.219 . . . . 0.0 110.615 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.1 t -62.44 144.15 14.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.566 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.754 HG22 HG13 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -125.44 53.94 1.51 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.048 0.451 . . . . 0.0 110.873 -179.818 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.8 138.36 53.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.233 179.34 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.695 ' HA ' HD13 ' B' ' 58' ' ' LEU . 4.2 m-20 70.57 5.03 5.22 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.97 -179.505 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.9 ttm -91.59 159.94 15.65 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.767 0.318 . . . . 0.0 111.015 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 79.5 p -75.44 148.67 38.91 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.782 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 30.1 tp -56.42 -31.18 63.67 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.717 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.65 -40.79 92.85 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.777 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.92 -41.2 82.2 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.863 179.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.37 -37.25 74.86 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.752 179.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.496 ' HA ' HD12 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -68.42 -35.74 78.06 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.237 179.203 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.7 -41.03 88.66 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.901 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.455 ' HA ' HD23 ' A' ' 64' ' ' LEU . 12.4 mt -56.4 -34.94 67.21 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 120.707 0.289 . . . . 0.0 110.615 179.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.496 HD12 ' HA ' ' A' ' 62' ' ' LYS . 23.2 mt -69.62 -29.8 42.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.708 179.148 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.21 -51.72 14.57 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.884 179.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.4 ttt85 -62.53 -24.97 67.79 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.344 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 m -57.77 115.17 2.65 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.742 0.306 . . . . 0.0 111.111 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.6 mmpp? -86.57 106.54 17.62 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.635 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 61.66 -98.62 0.19 Allowed Glycine 0 C--N 1.335 0.493 0 C-N-CA 121.247 -0.502 . . . . 0.0 113.546 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.436 ' HG3' HG22 ' B' ' 6' ' ' VAL . 0.0 OUTLIER -66.26 140.24 58.13 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 120.725 0.298 . . . . 0.0 111.179 -179.38 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.872 HD12 ' CZ ' ' B' ' 14' ' ' TYR . 0.4 OUTLIER -126.68 144.87 50.79 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.083 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 59.1 mttt -122.28 131.85 54.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.538 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 8.1 mtm -138.87 125.09 20.21 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.801 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 18.4 t -100.15 115.48 41.44 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.153 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.706 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.1 m -115.44 162.94 13.13 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.503 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.464 0.228 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.241 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 120.809 0.337 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.51 134.43 55.22 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.988 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' VAL . . . . . 0.686 HG13 ' CB ' ' A' ' 38' ' ' ASN . 17.9 t -110.04 119.14 58.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.614 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.92 107.92 14.67 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 120.76 0.314 . . . . 0.0 111.439 -179.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.646 ' CD2' HG12 ' B' ' 3' ' ' VAL . 3.2 mm? -99.67 160.06 14.58 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.92 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . 0.501 ' O ' HD22 ' A' ' 32' ' ' LEU . 19.8 t -130.36 100.61 5.11 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.958 179.607 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.415 ' HB2' ' CZ ' ' B' ' 14' ' ' TYR . 5.9 ttmt . . . . . 0 C--O 1.234 0.238 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.232 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 . . . . . 0 CA--C 1.531 0.237 0 CA-C-O 120.928 0.394 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . 0.872 ' CZ ' HD12 ' A' ' 72' ' ' LEU . 41.5 m-85 -71.25 -20.22 62.26 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.796 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.04 42.28 94.92 Favored Glycine 0 C--N 1.338 0.676 0 C-N-CA 121.156 -0.545 . . . . 0.0 112.91 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.569 ' O ' HD12 ' B' ' 16' ' ' LEU . 2.8 pp -116.15 122.49 45.24 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.842 0.353 . . . . 0.0 111.043 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.512 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -79.2 111.34 15.32 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.53 179.706 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.79 HD11 ' CG2' ' A' ' 22' ' ' ILE . 0.4 OUTLIER -94.3 137.11 33.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.4 -179.447 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.583 ' N ' HD13 ' B' ' 18' ' ' LEU . . . -137.5 175.54 9.51 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.989 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . 0.404 ' HB3' HD13 ' A' ' 22' ' ' ILE . 6.8 p -141.01 150.89 43.62 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.993 0.425 . . . . 0.0 111.951 -179.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' HIS . . . . . 0.408 ' HD2' ' CE1' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -121.9 -179.75 4.24 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.841 179.869 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.757 ' CG2' HD11 ' A' ' 18' ' ' LEU . 35.1 mm -134.12 140.31 46.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.279 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 7.7 p90 -149.07 -178.13 6.2 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.385 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 12.2 t -109.16 119.84 59.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.024 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.507 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 10.9 tptm -68.12 -45.41 73.73 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.649 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.444 ' O ' HD13 ' B' ' 27' ' ' ILE . 0.1 OUTLIER -165.67 172.69 11.59 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.844 0.354 . . . . 0.0 111.214 -179.623 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . 0.807 HD12 HG22 ' B' ' 39' ' ' ILE . 2.2 mm -125.66 129.91 72.63 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.951 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 6.5 p -78.72 146.51 33.87 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.604 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -74.95 150.07 39.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.157 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 60.43 37.94 19.61 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.431 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 9.2 p -115.36 177.89 4.5 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.837 0.351 . . . . 0.0 111.277 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.523 HD12 ' CD1' ' A' ' 14' ' ' TYR . 64.9 mt -63.32 -36.76 84.75 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.638 179.575 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.756 ' HB1' ' HB ' ' B' ' 39' ' ' ILE . . . -65.35 -43.91 89.39 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.008 179.352 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.46 -43.44 93.21 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.876 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 28.3 tpt180 -71.16 -39.49 71.86 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.755 179.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -64.54 -35.38 80.78 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.185 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.91 39.74 89.37 Favored Glycine 0 C--N 1.334 0.452 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.531 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.738 ' CB ' HG13 ' A' ' 3' ' ' VAL . 36.7 m-80 -129.77 -51.67 1.15 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.599 0.2 . . . . 0.0 111.275 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . 0.807 HG22 HD12 ' B' ' 27' ' ' ILE . 29.6 mm -71.57 116.37 13.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.888 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.435 ' C ' HD11 ' B' ' 27' ' ' ILE . 36.9 mt-30 -126.43 171.26 11.17 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.208 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.43 ' HG3' ' HA ' ' B' ' 26' ' ' GLU . 6.1 mp0 -74.46 128.23 35.02 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.771 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.45 -18.99 55.9 Favored Glycine 0 CA--C 1.522 0.472 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.985 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -56.39 132.81 52.14 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.824 0.312 . . . . 0.0 111.098 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.7 t -99.9 125.83 53.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.355 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 21.3 t -97.48 131.24 44.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.421 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.1 -44.46 6.61 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.98 179.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.39 154.49 50.71 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.689 -179.349 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.636 ' HB ' HD22 ' B' ' 64' ' ' LEU . 37.1 mt -133.14 120.34 39.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 179.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 22.7 p30 43.85 38.1 1.96 Allowed 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.277 0.631 . . . . 0.0 111.892 -179.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.5 37.78 16.37 Favored Glycine 0 C--N 1.336 0.545 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.793 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.2 120.1 8.72 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.785 0.293 . . . . 0.0 110.627 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.459 HG12 ' H ' ' B' ' 54' ' ' GLU . 18.3 t -65.3 138.59 22.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.535 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.73 37.75 4.21 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.236 -179.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . 0.459 ' H ' HG12 ' B' ' 52' ' ' VAL . 0.1 OUTLIER -102.46 146.25 28.37 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 120.727 0.299 . . . . 0.0 110.219 179.11 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 4.8 m120 63.86 9.37 4.44 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.176 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -97.59 161.96 13.52 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 120.954 0.407 . . . . 0.0 111.213 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 10.4 m -77.4 150.71 35.03 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.823 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.695 HD13 ' HA ' ' A' ' 55' ' ' ASN . 8.2 tp -54.6 -30.06 53.52 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.895 179.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.98 -42.07 97.66 Favored 'General case' 0 C--O 1.231 0.086 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.75 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -56.73 -45.02 82.2 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.794 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.65 -38.93 72.84 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.651 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 9.1 mtmm -65.47 -38.11 88.83 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.327 179.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.2 -39.26 89.52 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.926 179.504 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.636 HD22 ' HB ' ' B' ' 48' ' ' ILE . 0.5 OUTLIER -56.19 -36.06 67.96 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.795 0.331 . . . . 0.0 110.513 179.714 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 13.0 mt -75.05 -31.2 24.51 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 179.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.82 -49.39 53.1 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.077 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.34 -33.73 72.83 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.201 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . 0.402 ' CB ' ' HG ' ' B' ' 72' ' ' LEU . 63.2 m -74.72 90.59 2.33 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.849 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.84 36.17 1.87 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.214 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -172.34 -102.74 0.16 Allowed Glycine 0 C--N 1.333 0.386 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.407 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.45 122.11 35.54 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.946 0.373 . . . . 0.0 111.07 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.532 HD12 ' CE2' ' A' ' 14' ' ' TYR . 0.3 OUTLIER -108.44 144.1 36.49 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.87 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' LYS . . . . . 0.406 ' HG3' HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER -125.98 142.01 51.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.751 179.65 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.46 ' CE ' HD12 ' B' ' 39' ' ' ILE . 32.9 mtm -147.02 127.5 14.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.677 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.675 HG22 ' HG2' ' A' ' 2' ' ' LYS . 24.2 t -97.91 111.12 26.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.559 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 14.4 m -102.52 169.99 1.8 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.289 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? . . . . . 0 C--O 1.233 0.222 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.165 179.895 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.2 pttp . . . . . 0 C--O 1.233 0.214 0 CA-C-O 120.867 0.365 . . . . 0.0 111.316 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.731 HG11 ' CG1' ' B' ' 39' ' ' ILE . 36.3 t -104.22 127.14 58.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.883 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.0 m -129.05 105.57 8.28 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.788 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.643 HD11 ' CD1' ' B' ' 39' ' ' ILE . 89.2 mt -98.83 152.29 19.88 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.749 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.8 t -121.19 103.92 14.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.942 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.448 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--O 1.233 0.227 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.0 pm0 . . . . . 0 C--O 1.233 0.23 0 CA-C-O 120.829 0.347 . . . . 0.0 110.796 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.748 ' HB3' HD23 ' A' ' 16' ' ' LEU . 26.8 m-85 -65.63 -47.5 75.38 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.266 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.59 14.95 45.13 Favored Glycine 0 C--N 1.336 0.558 0 C-N-CA 121.092 -0.575 . . . . 0.0 113.307 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.748 HD23 ' HB3' ' A' ' 14' ' ' TYR . 2.6 pp -86.2 112.24 21.16 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 117.377 0.588 . . . . 0.0 111.045 -179.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.453 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 2.9 ttm180 -73.65 130.97 41.13 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.305 179.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -117.67 163.75 16.01 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.11 0.481 . . . . 0.0 111.654 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.653 ' HB3' ' CZ ' ' B' ' 23' ' ' PHE . . . -157.18 -179.08 7.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.999 -179.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.1 p -134.9 149.25 50.25 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.107 0.48 . . . . 0.0 111.685 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.439 ' HD2' ' CE1' ' B' ' 23' ' ' PHE . 0.1 OUTLIER -116.18 176.08 5.26 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.637 179.812 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.746 ' CG2' HD11 ' B' ' 18' ' ' LEU . 30.6 mm -133.95 138.73 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-O 120.796 0.332 . . . . 0.0 111.34 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.472 ' CE1' ' HD2' ' B' ' 21' ' ' HIS . 10.1 p90 -147.81 -179.41 6.88 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.314 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.9 t -103.43 117.02 48.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.069 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.513 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 8.0 tptt -66.18 -39.72 89.91 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.341 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -174.43 175.56 2.55 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.864 0.364 . . . . 0.0 111.083 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.481 ' CG2' ' HB3' ' A' ' 33' ' ' ALA . 2.5 mt -130.16 137.27 56.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.042 179.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m -75.84 150.76 37.6 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.143 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -74.93 144.08 43.42 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.787 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.01 33.45 21.36 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.939 -179.546 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.553 ' HB2' ' HA3' ' B' ' 15' ' ' GLY . 24.2 p -103.92 177.75 4.75 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.274 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.628 HD21 ' O ' ' B' ' 6' ' ' VAL . 0.4 OUTLIER -62.55 -41.78 99.12 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.816 179.912 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.66 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -62.12 -43.1 99.57 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.878 179.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.79 -36.74 84.37 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.952 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.1 tpt180 -71.6 -41.03 69.45 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.848 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.43 -38.4 74.54 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.447 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.49 36.41 54.58 Favored Glycine 0 C--N 1.334 0.422 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.494 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.665 ' CB ' HG13 ' B' ' 3' ' ' VAL . 1.9 m-80 -118.94 -51.32 2.35 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.483 0.182 . . . . 0.0 110.832 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.66 ' HB ' ' HB1' ' A' ' 33' ' ' ALA . 32.9 mm -73.34 125.33 32.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.791 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.406 ' CA ' HD11 ' A' ' 27' ' ' ILE . 3.9 mt-30 -131.45 155.68 46.94 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.861 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -60.09 119.67 8.26 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.977 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.89 -19.58 40.8 Favored Glycine 0 CA--C 1.522 0.504 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.686 -179.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.55 123.02 13.38 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.893 0.378 . . . . 0.0 111.1 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.2 t -89.52 120.9 39.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.015 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 20.8 t -89.61 120.43 38.35 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.343 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 46' ' ' LEU . 0.2 OUTLIER -85.07 -47.68 9.95 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.903 179.777 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.9 mtpt -136.74 156.23 48.79 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 120.978 0.418 . . . . 0.0 111.493 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.57 ' HB ' HD13 ' A' ' 64' ' ' LEU . 28.3 mt -136.16 118.94 21.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.55 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 56.98 36.75 28.2 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.165 -179.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.35 35.89 41.05 Favored Glycine 0 CA--C 1.521 0.465 0 C-N-CA 120.963 -0.637 . . . . 0.0 112.686 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.76 132.84 24.43 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.54 0.21 . . . . 0.0 110.701 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.3 t -64.63 143.19 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.099 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.633 HG22 HG13 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -124.26 43.7 2.93 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.062 179.638 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -115.95 143.99 44.68 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 178.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 65.23 9.44 5.62 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.784 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.6 ttm -98.53 147.66 24.55 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.844 0.354 . . . . 0.0 110.916 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.2 m -61.99 147.57 46.65 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 65.4 tp -54.22 -31.43 53.18 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.667 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.05 -40.39 94.69 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.851 179.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.04 -43.4 77.83 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.792 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.15 -42.07 85.12 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.954 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.9 mttm -62.14 -34.88 77.2 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.564 179.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.8 m -66.53 -40.1 88.97 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 179.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.57 HD13 ' HB ' ' A' ' 48' ' ' ILE . 1.8 mt -55.52 -34.21 64.44 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.922 0.391 . . . . 0.0 110.42 179.591 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 33.0 mt -71.64 -31.06 40.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.62 179.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -74.68 -36.53 62.79 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.789 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -69.81 -25.23 63.67 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.454 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.5 m -64.65 100.2 0.37 Allowed 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 120.771 0.319 . . . . 0.0 110.946 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.8 mmpt? -62.81 -56.34 18.31 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.743 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -124.44 -88.7 0.8 Allowed Glycine 0 C--N 1.336 0.566 0 C-N-CA 120.748 -0.739 . . . . 0.0 113.101 -179.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.35 144.76 48.15 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.755 0.312 . . . . 0.0 110.854 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.703 HD12 ' CZ ' ' B' ' 14' ' ' TYR . 0.4 OUTLIER -121.36 125.19 46.37 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.005 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -108.36 126.8 53.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.634 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.492 ' HG2' HG23 ' A' ' 48' ' ' ILE . 4.9 mtm -137.37 126.09 23.88 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.721 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.9 t -98.22 111.08 27.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.944 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 10.7 m -105.62 174.19 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.433 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.176 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.062 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 6.7 m . . . . . 0 N--CA 1.489 1.495 0 CA-C-O 120.68 0.276 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -114.58 132.09 56.46 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.247 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' VAL . . . . . 0.665 HG13 ' CB ' ' A' ' 38' ' ' ASN . 17.8 t -109.77 132.19 58.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.2 108.92 10.72 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.13 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 73.1 mt -103.39 157.77 16.8 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.053 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . 0.628 ' O ' HD21 ' A' ' 32' ' ' LEU . 21.8 t -129.58 100.76 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.86 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt . . . . . 0 CA--C 1.531 0.218 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.12 -179.834 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 . . . . . 0 N--CA 1.456 -0.141 0 CA-C-O 120.717 0.294 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . 0.703 ' CZ ' HD12 ' A' ' 72' ' ' LEU . 97.3 m-85 -75.51 -24.3 56.81 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.287 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . 0.553 ' HA3' ' HB2' ' A' ' 31' ' ' SER . . . 72.61 39.76 55.26 Favored Glycine 0 C--N 1.334 0.472 0 C-N-CA 120.999 -0.619 . . . . 0.0 112.765 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.578 HD23 ' HB3' ' B' ' 14' ' ' TYR . 2.5 pp -124.64 125.23 43.79 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.853 0.359 . . . . 0.0 111.16 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.513 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -86.67 120.19 27.72 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.781 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.746 HD11 ' CG2' ' A' ' 22' ' ' ILE . 0.4 OUTLIER -98.96 135.93 39.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.728 -179.394 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.581 ' N ' HD13 ' B' ' 18' ' ' LEU . . . -133.6 179.48 6.19 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.721 179.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . 0.431 ' O ' ' HG2' ' B' ' 54' ' ' GLU . 88.1 p -147.27 144.49 28.88 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -179.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' HIS . . . . . 0.472 ' HD2' ' CE1' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -119.69 177.77 4.83 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.919 179.64 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.405 HG13 ' HB ' ' B' ' 53' ' ' THR . 38.0 mm -128.17 141.3 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.092 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.653 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 12.1 p90 -147.63 175.48 10.84 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.249 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.516 HG23 ' O ' ' B' ' 43' ' ' ASP . 24.7 t -93.88 125.46 46.47 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-O 120.838 0.351 . . . . 0.0 110.997 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.453 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 14.2 tptm -75.22 -42.0 56.46 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.663 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -170.96 174.4 4.77 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.885 0.374 . . . . 0.0 111.412 -179.411 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . 0.458 ' CD1' HG22 ' B' ' 39' ' ' ILE . 8.9 mm -123.25 133.22 69.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.623 179.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -77.88 145.25 36.33 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.707 0.289 . . . . 0.0 111.025 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.01 140.59 42.04 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.75 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 58.15 40.36 25.09 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.262 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 59.1 m -118.25 178.07 4.57 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.964 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.528 HD12 ' CD1' ' A' ' 14' ' ' TYR . 68.0 mt -56.22 -43.99 79.13 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.103 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.42 -45.59 91.13 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.296 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.8 -38.53 91.02 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.107 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 13.9 mmt-85 -73.51 -41.87 62.5 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.005 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.54 -33.67 74.52 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.465 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.12 29.23 73.78 Favored Glycine 0 C--N 1.335 0.516 0 C-N-CA 120.899 -0.667 . . . . 0.0 113.052 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.682 ' HB2' HG13 ' A' ' 3' ' ' VAL . 76.7 m-20 -110.12 -32.75 6.89 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.723 0.261 . . . . 0.0 111.442 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . 0.731 ' CG1' HG11 ' A' ' 3' ' ' VAL . 23.6 mt -97.05 133.02 40.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-O 120.731 0.301 . . . . 0.0 111.201 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -137.34 171.72 14.06 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -72.18 117.94 14.44 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.781 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.08 4.22 44.75 Favored Glycine 0 CA--C 1.523 0.593 0 C-N-CA 121.026 -0.607 . . . . 0.0 113.186 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . 0.642 ' HB3' HG11 ' B' ' 76' ' ' VAL . 0.7 OUTLIER -73.76 111.62 9.08 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 117.078 0.439 . . . . 0.0 110.837 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 23.4 t -80.24 104.85 9.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.982 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . 0.58 HG22 ' CG1' ' B' ' 76' ' ' VAL . 21.6 t -83.5 120.84 35.36 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.378 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.56 HD23 ' HG3' ' B' ' 47' ' ' LYS . 7.3 tt -92.87 -37.0 12.52 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.979 179.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . 0.56 ' HG3' HD23 ' B' ' 46' ' ' LEU . 19.9 mtpt -136.46 152.72 50.88 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.83 0.348 . . . . 0.0 111.496 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.486 ' HB ' HD13 ' B' ' 64' ' ' LEU . 26.0 mt -140.87 120.32 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.435 179.484 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 57.9 33.18 22.92 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 -179.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.79 33.89 32.56 Favored Glycine 0 C--N 1.336 0.556 0 C-N-CA 120.939 -0.648 . . . . 0.0 113.071 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.26 128.27 15.53 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.807 0.304 . . . . 0.0 110.995 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.696 HG12 ' H ' ' B' ' 54' ' ' GLU . 22.1 t -69.1 140.06 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.744 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.405 ' HB ' HG13 ' B' ' 22' ' ' ILE . 0.3 OUTLIER -114.45 20.94 15.03 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -179.569 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . 0.696 ' H ' HG12 ' B' ' 52' ' ' VAL . 9.8 tm-20 -92.84 145.77 24.14 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.91 0.386 . . . . 0.0 110.484 179.294 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 74.49 -1.72 3.01 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.095 -179.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 1.9 ttm -97.27 165.99 11.77 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.908 0.385 . . . . 0.0 110.987 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.15 151.85 39.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.741 179.627 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 39.2 tp -54.78 -30.67 57.44 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.572 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.36 -38.88 91.38 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.813 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.34 -43.41 83.37 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.891 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.63 -39.62 81.03 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.767 0.318 . . . . 0.0 110.749 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . 0.432 ' HA ' HD12 ' B' ' 65' ' ' ILE . 6.8 mtpt -64.9 -36.53 84.65 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.587 179.365 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.31 -42.73 96.17 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.005 179.451 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.486 HD13 ' HB ' ' B' ' 48' ' ' ILE . 2.7 mt -56.0 -36.98 68.52 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.824 0.345 . . . . 0.0 110.148 179.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' B' ' 62' ' ' LYS . 17.8 mt -73.59 -32.03 34.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.774 179.111 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -71.24 -46.72 60.44 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.773 0.321 . . . . 0.0 110.972 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -61.06 -26.74 67.85 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.495 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . 0.459 ' CB ' ' HG ' ' B' ' 72' ' ' LEU . 36.5 m -64.53 95.9 0.15 Allowed 'General case' 0 CA--C 1.53 0.198 0 CA-C-O 120.886 0.374 . . . . 0.0 111.068 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.58 -33.83 35.74 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.437 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -121.62 -98.39 1.54 Allowed Glycine 0 C--N 1.337 0.616 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.973 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -80.73 146.77 30.87 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.787 0.327 . . . . 0.0 111.068 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.487 HD12 ' CE2' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -121.16 119.37 32.16 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 3.4 tttt -103.24 129.06 50.08 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.591 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 22.2 mtp -137.6 122.68 19.12 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.028 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 20.3 t -98.74 112.61 31.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.929 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.642 HG11 ' HB3' ' B' ' 43' ' ' ASP . 6.0 m -109.4 175.62 1.54 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.388 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.266 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.967 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.6 pttp . . . . . 0 C--O 1.233 0.223 0 CA-C-O 120.653 0.263 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.648 HG13 ' HB2' ' B' ' 38' ' ' ASN . 21.0 t -114.82 131.66 66.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.169 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.426 HG22 ' HD2' ' B' ' 71' ' ' LYS . 0.6 OUTLIER -128.96 105.59 8.31 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.776 179.718 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 75.7 mt -100.35 142.76 31.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.587 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.0 t -113.18 101.57 12.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.952 0.406 . . . . 0.0 111.164 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.44 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--O 1.233 0.221 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.955 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.234 0.246 0 CA-C-O 120.729 0.3 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.796 ' CE2' HD12 ' B' ' 72' ' ' LEU . 38.1 m-85 -57.95 -42.63 85.36 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.198 -179.587 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 50.32 53.8 22.59 Favored Glycine 0 C--N 1.336 0.583 0 C-N-CA 121.401 -0.428 . . . . 0.0 112.972 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.726 HD23 ' HB3' ' A' ' 14' ' ' TYR . 2.4 pp -124.84 124.94 43.16 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.887 0.375 . . . . 0.0 111.071 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.51 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.3 OUTLIER -72.36 121.55 19.69 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.692 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.704 HD11 ' CG2' ' B' ' 22' ' ' ILE . 0.6 OUTLIER -100.37 135.38 41.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.612 -179.314 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.609 ' N ' HD13 ' A' ' 18' ' ' LEU . . . -137.29 177.0 8.21 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.788 179.497 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 83.0 p -142.11 155.43 45.35 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.109 0.481 . . . . 0.0 111.609 -179.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.42 ' HD2' ' CE1' ' B' ' 23' ' ' PHE . 0.1 OUTLIER -122.06 178.73 4.78 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.265 179.586 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.767 HG23 HD11 ' B' ' 18' ' ' LEU . 29.3 mm -131.55 139.32 50.95 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.156 0 CA-C-O 120.705 0.288 . . . . 0.0 111.248 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.471 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 8.8 p90 -149.47 177.39 9.76 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.056 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.1 t -104.29 111.76 35.17 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.927 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.466 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 1.5 tttp -62.64 -49.84 73.57 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.441 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -162.58 174.81 12.12 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.094 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.6 mp -123.99 146.96 28.63 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.067 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.5 t -90.93 151.28 21.17 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.871 0.367 . . . . 0.0 111.109 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -75.81 159.59 30.86 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.683 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.1 p30 42.33 34.88 0.55 Allowed 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.911 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.0 m -111.1 174.78 5.7 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.882 0.372 . . . . 0.0 110.594 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.424 HD22 ' O ' ' B' ' 6' ' ' VAL . 23.6 mt -58.37 -41.88 85.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.83 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.526 ' CB ' HD13 ' A' ' 39' ' ' ILE . . . -60.86 -41.77 96.56 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.183 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.84 -39.86 87.77 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.353 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.39 -47.63 54.99 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.362 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.2 -37.71 88.45 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.598 0.237 . . . . 0.0 111.389 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.45 40.58 96.36 Favored Glycine 0 C--N 1.334 0.459 0 C-N-CA 121.172 -0.537 . . . . 0.0 113.125 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.496 ' CB ' HG13 ' B' ' 3' ' ' VAL . 40.7 m-80 -122.33 8.84 9.69 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.556 HG13 HG11 ' B' ' 3' ' ' VAL . 2.0 mp -129.08 139.74 51.08 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-O 120.629 0.252 . . . . 0.0 111.231 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -132.1 156.2 46.77 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.009 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -67.83 121.48 16.1 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.629 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.38 -16.98 57.47 Favored Glycine 0 CA--C 1.523 0.583 0 C-N-CA 120.89 -0.671 . . . . 0.0 113.006 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.16 128.04 34.97 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.87 0.335 . . . . 0.0 111.218 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 28.2 t -83.24 135.02 25.64 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.411 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 24.8 t -104.84 124.44 59.48 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.99 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -91.7 -45.69 8.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.822 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -133.42 156.7 47.21 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.386 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.2 mt -139.56 128.02 27.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.509 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.5 t30 55.21 30.58 14.84 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.305 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.44 34.31 36.45 Favored Glycine 0 C--N 1.337 0.622 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.926 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.81 144.63 28.32 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.652 0.263 . . . . 0.0 110.863 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.633 HG12 ' H ' ' A' ' 54' ' ' GLU . 21.9 t -73.19 144.38 12.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.791 179.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.458 ' HB ' HG13 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -128.51 20.79 6.12 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.649 -179.834 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.633 ' H ' HG12 ' A' ' 52' ' ' VAL . 0.9 OUTLIER -80.98 150.3 28.98 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 120.937 0.399 . . . . 0.0 110.815 179.398 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 50.52 19.49 0.58 Allowed 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.302 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.2 tpp -99.26 162.42 13.06 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.721 0.296 . . . . 0.0 110.571 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 m -72.81 143.57 47.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.658 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 66.7 tp -54.8 -32.96 60.93 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.732 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -37.32 86.29 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.531 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -58.4 -42.32 86.86 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.48 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.05 -37.47 71.85 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.4 mttm -64.21 -36.66 84.79 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.655 179.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.11 -43.37 98.99 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.757 179.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.88 -37.76 69.24 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.375 179.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 33.5 mt -72.85 -32.44 40.23 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.804 179.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -73.69 -43.14 60.11 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.776 0.322 . . . . 0.0 110.736 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 -67.73 -23.02 65.21 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.706 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 73.6 m -54.73 111.71 0.87 Allowed 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 120.762 0.315 . . . . 0.0 110.917 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 23.3 mtmm -63.93 -33.09 74.93 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.422 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -174.82 -62.05 0.05 OUTLIER Glycine 0 C--N 1.334 0.427 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.046 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.6 pttt -83.73 128.34 34.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.817 0.341 . . . . 0.0 111.348 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.65 HD12 ' CZ ' ' B' ' 14' ' ' TYR . 0.6 OUTLIER -115.84 133.88 55.57 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.494 ' HG2' HG23 ' B' ' 4' ' ' THR . 86.8 mttt -125.58 105.77 9.27 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.067 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -114.0 128.76 56.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.804 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.404 HG22 ' HG2' ' B' ' 2' ' ' LYS . 18.1 t -97.81 131.78 44.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.753 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.448 ' CG2' ' HB ' ' B' ' 1' ' ' THR . 29.3 m -108.37 173.77 1.77 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.454 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 . . . . . 0 C--O 1.232 0.15 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 -179.864 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 1' ' ' THR . . . . . 0.448 ' HB ' ' CG2' ' A' ' 76' ' ' VAL . 61.9 m . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 120.672 0.273 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' LYS . . . . . 0.404 ' HG2' HG22 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -110.43 142.13 42.58 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.315 -179.565 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' VAL . . . . . 0.556 HG11 HG13 ' A' ' 39' ' ' ILE . 22.2 t -121.69 111.15 29.8 Favored 'Isoleucine or valine' 0 C--O 1.231 0.118 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.929 179.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . 0.494 HG23 ' HG2' ' A' ' 73' ' ' LYS . 3.9 m -110.36 122.22 47.17 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.998 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.437 HD11 HD11 ' A' ' 39' ' ' ILE . 86.1 mt -121.23 156.67 31.95 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.845 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . 0.424 ' O ' HD22 ' A' ' 32' ' ' LEU . 18.6 t -133.43 102.07 4.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.867 0.365 . . . . 0.0 111.154 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.475 ' HB2' ' CE1' ' B' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.205 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.326 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 . . . . . 0 C--O 1.233 0.207 0 CA-C-O 120.774 0.321 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . 0.817 ' HB3' HD23 ' B' ' 16' ' ' LEU . 48.0 m-85 -60.3 -36.23 77.4 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.161 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.39 32.3 72.28 Favored Glycine 0 C--N 1.335 0.498 0 C-N-CA 120.993 -0.623 . . . . 0.0 112.848 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.817 HD23 ' HB3' ' B' ' 14' ' ' TYR . 2.8 pp -102.32 118.39 36.78 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.844 0.354 . . . . 0.0 110.781 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.466 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -75.79 109.56 9.49 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.481 179.867 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.767 HD11 HG23 ' A' ' 22' ' ' ILE . 1.7 tm? -95.14 136.18 35.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.242 -179.486 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.713 ' N ' HD13 ' B' ' 18' ' ' LEU . . . -137.36 167.15 22.17 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.108 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 59.8 p -132.96 141.3 48.25 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.823 0.344 . . . . 0.0 111.634 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' HIS . . . . . 0.401 ' HD2' ' CE1' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -105.24 179.36 4.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.767 179.647 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.704 ' CG2' HD11 ' A' ' 18' ' ' LEU . 32.0 mm -132.31 140.08 48.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.412 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.458 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 12.9 p90 -149.42 177.47 9.67 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.369 179.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.2 t -101.32 113.2 36.77 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.074 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.51 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 4.0 tptt -64.06 -35.58 81.2 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.239 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -175.38 172.12 2.74 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.815 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 3.8 mp -126.53 133.08 69.49 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.956 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 69.5 m -76.82 157.3 31.63 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.007 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -84.18 152.24 24.37 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.116 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 59.8 32.78 21.5 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.258 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 52.1 p -114.33 174.26 6.04 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.779 0.323 . . . . 0.0 111.263 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.41 ' HB2' ' HA ' ' A' ' 14' ' ' TYR . 12.7 mt -61.26 -42.08 98.03 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.053 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.05 -43.26 99.15 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.655 0.264 . . . . 0.0 110.869 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.9 -36.78 78.44 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.986 179.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 -71.71 -43.86 65.19 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.631 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.07 -37.26 83.69 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.997 179.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.83 38.78 89.67 Favored Glycine 0 C--N 1.334 0.44 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.813 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.648 ' HB2' HG13 ' A' ' 3' ' ' VAL . 75.7 m-80 -125.67 4.72 7.48 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . 0.609 HD11 HG11 ' A' ' 3' ' ' VAL . 20.8 mm -127.16 108.35 18.45 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-O 120.704 0.287 . . . . 0.0 110.964 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.32 152.72 21.22 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.806 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -59.2 119.61 7.67 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.954 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.5 -11.8 46.97 Favored Glycine 0 CA--C 1.523 0.552 0 C-N-CA 120.783 -0.722 . . . . 0.0 113.181 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.81 123.85 15.57 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.969 0.385 . . . . 0.0 111.065 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.3 t -85.84 119.51 34.32 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . 0.716 ' HA ' HG12 ' B' ' 76' ' ' VAL . 23.5 t -88.15 138.6 18.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.262 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.859 HD21 HG12 ' B' ' 75' ' ' VAL . 2.3 pp -110.24 -37.52 5.52 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.338 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . 0.401 ' CG ' HD12 ' B' ' 46' ' ' LEU . 2.9 mtpp -142.21 155.64 45.28 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.924 0.392 . . . . 0.0 111.309 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.422 HG22 ' ND2' ' B' ' 49' ' ' ASN . 35.3 mt -140.58 122.66 15.34 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.468 179.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' ASN . . . . . 0.422 ' ND2' HG22 ' B' ' 48' ' ' ILE . 66.4 m-20 56.58 36.06 27.02 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.164 -179.457 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.27 31.41 51.9 Favored Glycine 0 CA--C 1.523 0.562 0 C-N-CA 120.948 -0.644 . . . . 0.0 113.264 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.14 132.66 17.7 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 117.014 0.407 . . . . 0.0 110.855 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.761 HG12 ' H ' ' B' ' 54' ' ' GLU . 29.5 t -68.7 136.93 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.712 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.521 HG23 ' CD1' ' B' ' 64' ' ' LEU . 0.2 OUTLIER -108.34 18.12 21.38 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.873 -179.712 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . 0.761 ' H ' HG12 ' B' ' 52' ' ' VAL . 9.7 tm-20 -80.83 151.79 28.53 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 179.226 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 1.9 p30 61.28 7.11 1.56 Allowed 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.468 -179.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 2.1 ttm -97.32 148.4 23.19 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.712 0.291 . . . . 0.0 110.531 179.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.3 146.05 52.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.629 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 60.4 tp -53.66 -32.19 50.61 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.816 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.33 -40.21 81.68 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.807 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -57.46 -37.32 72.67 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.407 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.93 -38.08 81.35 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.105 178.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' B' ' 63' ' ' THR . 0.0 OUTLIER -61.71 -34.19 75.35 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.243 178.813 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' THR . . . . . 0.441 ' N ' ' HG3' ' B' ' 62' ' ' LYS . 0.2 OUTLIER -70.52 -41.94 71.9 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.995 179.691 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.521 ' CD1' HG23 ' B' ' 53' ' ' THR . 1.7 mt -55.38 -34.73 64.59 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.574 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 22.2 mt -70.7 -32.31 48.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.778 179.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -76.45 -39.77 52.42 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 120.836 0.351 . . . . 0.0 110.955 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -63.83 -26.03 68.44 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.417 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 44.1 t -47.73 113.24 0.67 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.805 0.336 . . . . 0.0 111.507 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.64 79.46 9.35 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.588 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.15 -77.7 2.09 Favored Glycine 0 C--N 1.333 0.369 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.753 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . 0.426 ' HD2' HG22 ' A' ' 4' ' ' THR . 1.7 mtmm -84.18 139.77 32.18 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-O 120.792 0.33 . . . . 0.0 111.274 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.796 HD12 ' CE2' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -119.53 115.94 25.06 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.654 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.39 115.52 29.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.504 179.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -124.22 126.54 46.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.144 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.859 HG12 HD21 ' B' ' 46' ' ' LEU . 14.0 t -106.99 128.46 61.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.655 179.528 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.716 HG12 ' HA ' ' B' ' 45' ' ' VAL . 28.9 m -131.67 177.26 7.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.396 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.464 0.232 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.955 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.465 0.295 0 CA-C-O 120.892 0.377 . . . . 0.0 111.312 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.651 HG12 ' CD2' ' A' ' 5' ' ' LEU . 23.5 t -116.21 127.21 73.87 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.936 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.447 ' C ' HD22 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -128.37 114.55 16.99 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.001 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.651 ' CD2' HG12 ' A' ' 3' ' ' VAL . 3.4 mm? -110.19 152.87 25.54 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.959 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.2 t -119.8 99.43 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.056 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.546 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.464 0.232 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.141 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 . . . . . 0 N--CA 1.455 -0.219 0 CA-C-O 120.693 0.282 . . . . 0.0 110.681 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.671 ' HA ' HD12 ' B' ' 32' ' ' LEU . 60.3 m-85 -57.93 -40.85 81.47 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.265 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.97 42.57 77.27 Favored Glycine 0 C--N 1.334 0.432 0 C-N-CA 120.997 -0.621 . . . . 0.0 113.09 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.587 HD23 ' HB3' ' A' ' 14' ' ' TYR . 3.3 pp -128.41 124.58 36.63 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.892 0.377 . . . . 0.0 110.781 179.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.483 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 2.6 mmm180 -81.7 115.61 21.03 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.746 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.534 HD23 ' CD1' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -93.97 139.51 30.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.909 0.385 . . . . 0.0 111.405 -179.769 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.53 ' HA ' HD11 ' B' ' 58' ' ' LEU . . . -140.37 172.22 13.04 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.935 179.506 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 99.2 p -132.16 145.69 51.53 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.888 0.375 . . . . 0.0 111.78 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -117.61 177.84 4.61 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.147 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.779 ' CG2' HD11 ' B' ' 18' ' ' LEU . 29.0 mm -131.94 141.68 44.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.239 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.433 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 10.1 p90 -149.64 178.57 8.73 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.376 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.2 t -102.54 124.78 56.74 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.112 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.2 tptt -78.3 -36.54 46.43 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.389 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -173.4 171.11 4.05 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.671 0.272 . . . . 0.0 111.453 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.418 HG12 ' HG3' ' A' ' 41' ' ' GLU . 7.5 mm -121.75 147.49 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.981 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.0 t -90.14 148.78 22.77 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.899 0.38 . . . . 0.0 111.211 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.3 mp0 -83.04 146.17 28.88 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.444 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.3 t0 57.92 34.15 24.0 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.987 -179.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.9 p -113.98 -178.98 3.51 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.821 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.795 HD11 ' HA ' ' B' ' 7' ' ' LYS . 13.8 mt -60.23 -41.09 92.38 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.18 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.23 -44.64 88.31 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.186 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.77 -35.8 77.53 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.281 179.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.1 ttt85 -73.73 -39.89 63.96 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.095 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.405 ' CG ' HD23 ' B' ' 5' ' ' LEU . 0.2 OUTLIER -77.17 -35.28 56.05 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.498 -179.787 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.32 49.09 59.28 Favored Glycine 0 C--N 1.334 0.454 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.79 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.657 ' HB2' HG13 ' B' ' 3' ' ' VAL . 80.9 m-20 -126.5 -46.8 1.59 Allowed 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.728 0.264 . . . . 0.0 111.602 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.53 ' CD1' HG11 ' B' ' 3' ' ' VAL . 3.3 mp -85.4 140.95 15.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-O 120.682 0.277 . . . . 0.0 111.314 -179.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -136.7 169.2 18.12 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.171 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.418 ' HG3' HG12 ' A' ' 27' ' ' ILE . 4.4 mt-10 -72.84 118.47 15.81 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.793 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.77 -9.87 48.25 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 120.917 -0.658 . . . . 0.0 113.268 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.38 140.01 46.83 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 117.042 0.421 . . . . 0.0 110.814 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 28.2 t -104.35 105.57 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.189 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.707 ' HA ' HG12 ' A' ' 76' ' ' VAL . 21.9 t -86.19 133.21 30.26 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.583 ' C ' HD22 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -119.05 -8.88 10.13 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 179.599 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.456 ' N ' HD13 ' A' ' 46' ' ' LEU . 1.5 mttt -153.76 144.35 22.47 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.697 0.284 . . . . 0.0 110.957 179.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.809 HD12 HD13 ' A' ' 64' ' ' LEU . 21.0 mt -135.29 118.73 24.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.547 179.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 45.8 m-20 56.96 34.75 25.4 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.103 -179.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.59 36.24 30.26 Favored Glycine 0 C--N 1.336 0.581 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.959 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.17 125.56 13.14 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.698 0.285 . . . . 0.0 110.732 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.484 HG12 ' H ' ' A' ' 54' ' ' GLU . 19.2 t -70.88 134.52 29.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.023 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.446 HG21 HD12 ' A' ' 48' ' ' ILE . 0.6 OUTLIER -113.35 37.26 3.25 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.301 179.823 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.484 ' H ' HG12 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -95.23 143.45 26.62 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.085 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.44 ' HB3' HD22 ' B' ' 58' ' ' LEU . 2.3 m120 67.3 9.89 7.32 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.939 -179.503 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -100.58 162.76 12.71 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.781 0.324 . . . . 0.0 111.291 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.5 m -73.91 147.15 43.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.609 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.7 tp -55.08 -31.13 60.96 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.801 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.08 -40.02 94.42 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.16 -43.07 87.22 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.781 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.55 -39.23 76.18 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.557 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.1 mtpt -64.16 -39.23 93.57 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.368 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.85 -40.76 98.44 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.209 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.809 HD13 HD12 ' A' ' 48' ' ' ILE . 0.7 OUTLIER -55.89 -35.04 66.09 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.691 0.282 . . . . 0.0 110.651 179.799 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 24.4 mt -74.17 -31.41 29.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.668 179.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -74.75 -41.51 59.96 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.91 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -64.6 -25.5 68.0 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.357 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.456 ' CB ' ' HG ' ' A' ' 72' ' ' LEU . 58.1 m -62.99 106.84 0.89 Allowed 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.848 0.356 . . . . 0.0 111.235 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.11 80.86 2.03 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.741 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 116.15 -94.81 0.66 Allowed Glycine 0 C--N 1.332 0.312 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.607 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 48.2 mttm -87.82 142.27 27.94 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 120.695 0.283 . . . . 0.0 111.181 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.735 HD12 ' CE2' ' B' ' 14' ' ' TYR . 0.5 OUTLIER -120.77 136.83 54.78 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 179.879 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -119.46 124.62 46.93 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.697 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 8.0 mtm -132.73 122.2 24.21 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.048 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.2 t -103.57 133.06 48.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.956 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.707 HG12 ' HA ' ' A' ' 45' ' ' VAL . 29.4 m -129.65 177.19 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.394 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 . . . . . 0 CA--C 1.53 0.204 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.962 179.454 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 13.8 p . . . . . 0 N--CA 1.493 1.704 0 CA-C-O 120.691 0.281 . . . . 0.0 111.709 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 42.5 mttt -125.81 128.15 47.23 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.779 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' VAL . . . . . 0.657 HG13 ' HB2' ' A' ' 38' ' ' ASN . 33.5 t -103.5 129.7 55.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.012 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 29.2 m -127.8 108.85 11.07 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.8 0.333 . . . . 0.0 110.933 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.45 HD11 ' CD1' ' A' ' 39' ' ' ILE . 46.6 mt -102.85 153.67 19.96 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.641 179.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 15.6 t -125.99 99.94 6.32 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-O 120.835 0.35 . . . . 0.0 111.247 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.795 ' HA ' HD11 ' A' ' 32' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.189 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.917 0.389 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . 0.735 ' CE2' HD12 ' A' ' 72' ' ' LEU . 69.9 m-85 -74.36 -31.76 62.52 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.118 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.73 45.21 96.23 Favored Glycine 0 C--N 1.335 0.51 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.955 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.517 HD23 ' HB3' ' B' ' 14' ' ' TYR . 2.2 pp -115.37 114.66 25.41 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.002 0.43 . . . . 0.0 110.777 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 2.2 ttm-85 -74.22 111.6 9.56 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.59 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.779 HD11 ' CG2' ' A' ' 22' ' ' ILE . 0.8 OUTLIER -97.4 134.23 40.93 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.611 -179.276 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.65 ' N ' HD13 ' B' ' 18' ' ' LEU . . . -133.34 165.06 25.7 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.562 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 84.1 p -126.13 148.73 49.32 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 121.081 0.467 . . . . 0.0 111.765 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' HIS . . . . . 0.408 ' O ' HD13 ' B' ' 22' ' ' ILE . 0.1 OUTLIER -119.38 179.09 4.3 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.792 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.43 HG13 ' HB ' ' B' ' 53' ' ' THR . 21.8 mm -132.68 141.9 43.85 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.12 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.454 ' O ' HD13 ' A' ' 18' ' ' LEU . 12.8 p90 -149.5 175.48 11.46 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.965 179.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.409 HG21 HG23 ' B' ' 39' ' ' ILE . 42.6 t -104.8 116.08 47.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.991 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.483 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 1.7 tptm -56.49 -46.97 80.22 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.415 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -171.98 172.68 4.65 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.892 0.377 . . . . 0.0 111.383 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . 0.586 ' CD1' HG22 ' B' ' 39' ' ' ILE . 5.7 mm -114.91 141.4 31.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.454 179.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 22.0 p -93.5 138.28 31.95 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.732 0.301 . . . . 0.0 110.539 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -69.78 151.57 45.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.291 -179.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 58.91 45.43 15.17 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.183 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 2.7 m -134.55 175.07 9.87 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.218 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.671 HD12 ' HA ' ' A' ' 14' ' ' TYR . 42.7 mt -55.43 -43.75 75.65 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.55 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.91 -48.0 83.47 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.631 0.253 . . . . 0.0 111.218 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.68 -35.39 80.4 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.215 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 -75.94 -41.05 52.82 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.32 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.16 -34.71 75.39 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.539 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.03 43.71 80.64 Favored Glycine 0 C--N 1.334 0.444 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.932 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.648 ' CB ' HG13 ' A' ' 3' ' ' VAL . 91.0 m-20 -123.55 -57.6 1.64 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.601 0.239 . . . . 0.0 111.06 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . 0.586 HG22 ' CD1' ' B' ' 27' ' ' ILE . 3.9 mt -68.9 134.96 29.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -121.34 171.15 8.96 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.418 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.432 ' HG3' HG12 ' B' ' 27' ' ' ILE . 1.2 mt-10 -81.04 99.95 8.73 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.057 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.27 6.36 36.44 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 121.017 -0.611 . . . . 0.0 114.124 179.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -65.18 142.06 58.46 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 117.548 0.674 . . . . 0.0 110.803 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.9 t -91.31 116.17 31.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.072 -179.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 20.8 t -94.04 137.54 22.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.229 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.422 HD11 ' HG3' ' B' ' 77' ' ' GLN . 1.2 mt -112.64 -39.86 4.21 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.072 179.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -135.41 153.36 51.82 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.862 0.363 . . . . 0.0 111.558 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.695 ' HB ' HD13 ' B' ' 64' ' ' LEU . 29.7 mt -139.24 124.87 22.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.592 179.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 53.28 35.04 19.13 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.356 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.42 33.75 42.66 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.836 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.81 133.86 20.36 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.729 0.264 . . . . 0.0 110.665 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.575 HG12 ' H ' ' B' ' 54' ' ' GLU . 13.2 t -76.35 136.09 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.958 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.43 ' HB ' HG13 ' B' ' 22' ' ' ILE . 0.7 OUTLIER -116.72 29.86 7.68 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.497 179.766 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . 0.575 ' H ' HG12 ' B' ' 52' ' ' VAL . 1.0 OUTLIER -85.68 146.45 26.83 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 178.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 4.9 m120 63.86 10.94 5.58 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.122 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -100.09 164.34 12.02 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-O 120.745 0.307 . . . . 0.0 110.906 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 43.4 p -77.03 153.27 34.62 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.557 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.53 HD11 ' HA ' ' A' ' 19' ' ' ALA . 21.2 tp -57.13 -29.29 63.44 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.674 179.542 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.33 -39.98 94.99 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.845 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -57.9 -47.98 81.22 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.837 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.8 -38.39 75.45 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.783 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -33.2 75.4 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.462 179.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.96 -43.34 92.99 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.99 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.695 HD13 ' HB ' ' B' ' 48' ' ' ILE . 2.6 mt -54.69 -37.32 65.65 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.893 0.378 . . . . 0.0 110.423 179.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . 0.466 ' HA ' HD11 ' B' ' 72' ' ' LEU . 27.7 mt -75.5 -30.91 22.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.937 179.328 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -75.69 -47.74 24.94 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.691 0.282 . . . . 0.0 110.804 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.5 -27.82 69.4 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.558 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 6.6 t -58.09 114.17 2.24 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.691 0.282 . . . . 0.0 111.189 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt -84.47 -33.6 23.59 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.198 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -139.31 -111.31 0.96 Allowed Glycine 0 C--N 1.337 0.619 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.815 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 25.8 ttmt -61.81 145.18 53.39 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.884 0.373 . . . . 0.0 111.558 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.61 HD12 ' CZ ' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -133.07 131.4 40.55 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.002 179.816 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.08 145.13 30.93 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.564 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 10.2 mtm -149.24 121.61 8.45 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.823 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 21.9 t -99.17 120.84 49.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 33.8 m -118.97 160.75 18.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.637 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . 0.422 ' HG3' HD11 ' B' ' 46' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.233 0.223 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.01 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.549 ' HG3' HG22 ' B' ' 75' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.151 0 CA-C-O 120.899 0.38 . . . . 0.0 111.178 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.866 HG13 ' CB ' ' B' ' 38' ' ' ASN . 21.3 t -103.71 124.09 57.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.81 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.457 HG23 ' HG3' ' B' ' 73' ' ' LYS . 0.2 OUTLIER -127.82 113.22 15.66 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.846 0.355 . . . . 0.0 111.058 179.904 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.592 ' CD2' HG12 ' A' ' 3' ' ' VAL . 2.7 mm? -107.08 159.47 16.28 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.401 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.6 t -139.49 101.26 1.45 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-O 120.813 0.34 . . . . 0.0 111.285 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.603 ' HA ' HD11 ' B' ' 32' ' ' LEU . 15.9 ptpt . . . . . 0 C--N 1.332 -0.189 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.934 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 . . . . . 0 CA--C 1.532 0.277 0 CA-C-O 120.818 0.342 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.81 ' HB3' HD23 ' A' ' 16' ' ' LEU . 67.3 m-85 -72.52 -38.96 67.93 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.454 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.15 49.51 74.91 Favored Glycine 0 C--N 1.335 0.506 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.526 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.81 HD23 ' HB3' ' A' ' 14' ' ' TYR . 3.0 pp -121.97 132.09 54.35 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.774 0.321 . . . . 0.0 110.88 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.491 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 1.2 mmt180 -90.0 114.21 26.02 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.76 HD11 HG23 ' B' ' 22' ' ' ILE . 0.8 OUTLIER -103.29 133.89 47.6 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.89 -179.906 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.674 ' N ' HD13 ' A' ' 18' ' ' LEU . . . -138.34 165.14 27.52 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.167 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 88.6 p -131.82 151.32 51.76 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.204 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.469 ' HD2' ' CE1' ' B' ' 23' ' ' PHE . 0.2 OUTLIER -115.9 177.84 4.53 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 179.857 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.4 mm -133.16 114.19 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.71 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.763 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 19.7 p90 -118.35 -175.98 2.98 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 120.814 0.34 . . . . 0.0 111.279 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -95.65 118.13 41.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 120.885 0.374 . . . . 0.0 111.596 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.484 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 23.3 tptm -74.97 -38.08 61.77 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.139 179.489 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -175.02 174.02 2.55 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.895 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.2 mp -139.89 136.37 38.69 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.754 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.9 m -87.76 150.8 23.36 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.236 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -79.74 161.17 25.91 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.828 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 59.56 28.0 17.31 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.174 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.2 m -118.15 169.68 9.49 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.848 0.356 . . . . 0.0 110.966 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' B' ' 14' ' ' TYR . 5.3 mt -59.14 -38.49 79.8 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.177 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.95 -45.12 95.08 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.569 0.223 . . . . 0.0 111.01 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.6 -39.43 88.37 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.903 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.34 -39.99 67.72 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.965 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -69.31 -36.83 77.39 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.049 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.72 28.78 73.95 Favored Glycine 0 C--N 1.334 0.434 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.669 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.615 ' HB3' HG13 ' B' ' 3' ' ' VAL . 4.2 m-80 -108.75 -23.49 11.75 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.758 0.279 . . . . 0.0 111.739 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.709 ' CD1' HD11 ' B' ' 5' ' ' LEU . 1.7 mp -108.36 100.89 11.69 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-O 120.758 0.313 . . . . 0.0 110.889 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.16 152.86 23.99 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.666 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -58.88 128.62 38.11 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.832 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.34 -23.97 31.55 Favored Glycine 0 CA--C 1.522 0.521 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.929 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.95 132.42 53.97 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.838 0.319 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 20.2 t -96.93 122.71 48.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.273 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.5 t -94.54 144.74 9.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.05 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.506 HD11 ' HB2' ' A' ' 77' ' ' GLN . 5.8 mp -119.19 -36.98 3.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.497 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.48 ' O ' HD13 ' A' ' 48' ' ' ILE . 0.3 OUTLIER -129.13 150.08 50.67 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 121.028 0.442 . . . . 0.0 111.876 -179.334 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.652 ' HB ' HD13 ' A' ' 64' ' ' LEU . 8.9 mm -131.23 110.03 17.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.396 179.431 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 56.54 35.26 25.75 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.404 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.17 25.84 42.73 Favored Glycine 0 CA--C 1.521 0.452 0 C-N-CA 120.865 -0.683 . . . . 0.0 113.131 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -140.32 122.55 15.86 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.854 0.327 . . . . 0.0 110.46 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.538 HG12 ' H ' ' A' ' 54' ' ' GLU . 22.7 t -67.45 133.85 30.98 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.137 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.056 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -112.93 36.45 3.48 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.169 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.538 ' H ' HG12 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -89.91 142.05 28.07 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.23 179.249 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.624 ' HB3' HD22 ' B' ' 58' ' ' LEU . 1.3 m120 65.62 12.18 8.05 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.863 -179.641 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -98.4 163.73 12.58 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.899 0.38 . . . . 0.0 110.994 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.3 p -76.99 151.48 35.62 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.8 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.433 HD11 ' HA ' ' B' ' 19' ' ' ALA . 12.5 tp -58.66 -27.74 65.05 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.913 179.641 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.37 -40.53 81.4 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.365 179.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -55.52 -39.91 71.14 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.591 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.63 -41.09 85.15 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.008 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -60.93 -38.48 85.98 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.971 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.74 -46.65 84.19 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.195 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.652 HD13 ' HB ' ' A' ' 48' ' ' ILE . 1.3 mt -56.89 -36.49 70.19 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.558 179.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 28.2 mt -74.05 -31.43 30.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.493 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -71.7 -44.82 63.54 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.922 179.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -61.4 -28.46 69.26 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.46 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.439 ' CB ' ' HG ' ' A' ' 72' ' ' LEU . 43.1 m -62.93 90.51 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 120.846 0.355 . . . . 0.0 110.959 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.22 -27.58 64.59 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.197 -179.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -143.08 -79.13 0.05 OUTLIER Glycine 0 C--N 1.335 0.493 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.936 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.57 148.18 27.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.823 0.344 . . . . 0.0 111.276 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.465 HD12 ' CZ ' ' B' ' 14' ' ' TYR . 0.5 OUTLIER -130.39 139.82 50.62 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.694 179.917 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -126.7 132.91 51.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.854 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.6 mtp -142.67 129.45 20.47 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.856 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 22.0 t -100.77 125.54 54.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.791 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.409 HG23 ' HB ' ' B' ' 1' ' ' THR . 31.3 m -113.57 179.51 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.65 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.506 ' HB2' HD11 ' A' ' 46' ' ' LEU . 0.2 OUTLIER . . . . . 0 CA--C 1.532 0.261 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.277 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 1' ' ' THR . . . . . 0.409 ' HB ' HG23 ' A' ' 76' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 120.79 0.329 . . . . 0.0 111.327 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -134.59 137.08 43.43 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' VAL . . . . . 0.615 HG13 ' HB3' ' A' ' 38' ' ' ASN . 26.2 t -118.66 126.05 74.89 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 3.1 m -128.87 106.11 8.68 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.893 0.378 . . . . 0.0 110.939 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.709 HD11 ' CD1' ' A' ' 39' ' ' ILE . 82.9 mt -96.32 146.31 24.84 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.779 179.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 23.1 t -120.88 101.12 10.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.153 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt . . . . . 0 C--O 1.233 0.192 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.398 179.583 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.743 0.306 . . . . 0.0 110.794 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . 0.469 ' HA ' HD12 ' A' ' 32' ' ' LEU . 69.6 m-85 -57.93 -36.89 73.13 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.197 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.02 45.54 95.07 Favored Glycine 0 C--N 1.337 0.606 0 C-N-CA 121.124 -0.56 . . . . 0.0 112.756 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.605 ' O ' HD12 ' B' ' 16' ' ' LEU . 2.2 pp -120.81 128.06 52.51 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-O 120.934 0.397 . . . . 0.0 111.185 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.685 ' C ' HD23 ' B' ' 18' ' ' LEU . 0.0 OUTLIER -101.56 137.74 39.48 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.339 179.663 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.685 HD23 ' C ' ' B' ' 17' ' ' ARG . 0.9 OUTLIER -120.4 169.19 10.54 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 121.688 0.756 . . . . 0.0 111.77 179.664 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.763 ' HB3' ' CZ ' ' A' ' 23' ' ' PHE . . . -157.67 160.73 38.3 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.258 -1.337 . . . . 0.0 109.756 178.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 71.6 p -117.62 143.4 46.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.14 0.495 . . . . 0.0 111.997 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' HIS . . . . . 0.438 ' HD2' ' CE1' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -113.25 179.8 3.86 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.29 179.561 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.76 HG23 HD11 ' A' ' 18' ' ' LEU . 28.3 mm -132.63 138.11 52.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.684 0.278 . . . . 0.0 111.177 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.567 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 10.9 p90 -148.91 174.65 12.02 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.116 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.2 t -106.48 115.08 47.3 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.13 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.025 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.491 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 2.4 tptm -63.06 -41.05 99.36 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.235 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.416 ' CG ' ' HG3' ' A' ' 17' ' ' ARG . 11.0 pt-20 -179.25 172.95 1.17 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.059 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . 0.557 HG23 ' HB3' ' B' ' 33' ' ' ALA . 3.0 mp -124.04 140.99 45.77 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.945 179.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 15.6 m -72.13 152.85 42.03 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.221 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -76.37 137.56 39.88 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.592 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.03 32.09 21.51 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.288 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.8 170.67 8.01 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.588 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.603 HD11 ' HA ' ' A' ' 7' ' ' LYS . 67.1 mt -55.42 -42.8 74.63 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.55 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.578 ' CB ' HD12 ' B' ' 39' ' ' ILE . . . -64.88 -51.9 59.44 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.383 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.52 -34.74 78.93 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.059 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 5.1 ttp85 -74.05 -41.79 61.24 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.99 -31.16 70.66 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.291 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.98 34.3 70.81 Favored Glycine 0 C--N 1.334 0.434 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.696 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.866 ' CB ' HG13 ' A' ' 3' ' ' VAL . 85.6 m-20 -112.76 -38.39 4.58 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.769 0.285 . . . . 0.0 111.453 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . 0.752 ' CG1' HG11 ' A' ' 3' ' ' VAL . 22.6 mt -93.18 135.26 28.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-O 120.709 0.29 . . . . 0.0 111.176 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -128.34 152.83 47.69 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -63.62 121.16 13.23 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.643 179.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.39 -16.94 54.68 Favored Glycine 0 CA--C 1.523 0.564 0 C-N-CA 120.726 -0.75 . . . . 0.0 113.176 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . 0.556 ' HB3' HG11 ' B' ' 76' ' ' VAL . 1.0 OUTLIER -53.46 122.83 10.5 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.907 0.354 . . . . 0.0 110.914 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 24.2 t -83.76 107.92 15.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . 0.448 ' HA ' HG12 ' B' ' 76' ' ' VAL . 21.2 t -76.54 136.19 25.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.144 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.36 -42.4 4.14 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.953 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -137.39 151.06 48.15 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.809 0.337 . . . . 0.0 111.438 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.777 ' HB ' HD13 ' B' ' 64' ' ' LEU . 21.3 mt -132.64 121.54 45.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.32 179.39 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 58.46 33.61 23.26 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.018 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.25 33.93 38.47 Favored Glycine 0 CA--C 1.523 0.556 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.764 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -146.06 131.9 19.08 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.782 0.291 . . . . 0.0 110.964 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.645 HG12 ' H ' ' B' ' 54' ' ' GLU . 17.4 t -64.72 146.29 13.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.836 179.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.431 ' HB ' HG13 ' B' ' 22' ' ' ILE . 1.7 m -128.55 24.46 5.8 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.543 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . 0.645 ' H ' HG12 ' B' ' 52' ' ' VAL . 3.7 tt0 -93.33 145.49 24.42 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.712 0.291 . . . . 0.0 110.289 179.238 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 2.2 m120 66.0 8.44 5.42 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 115.881 -0.599 . . . . 0.0 112.238 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.28 168.0 9.38 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.815 0.34 . . . . 0.0 111.028 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 51.5 p -74.88 146.22 42.07 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.633 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.624 HD22 ' HB3' ' A' ' 55' ' ' ASN . 9.2 tp -56.78 -31.4 64.6 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.684 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.32 -38.75 84.66 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.657 179.599 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -60.23 -43.32 96.15 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.8 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.46 -36.65 78.75 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.628 179.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -68.05 -32.76 73.33 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.02 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.33 -47.0 87.05 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.985 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.777 HD13 ' HB ' ' B' ' 48' ' ' ILE . 6.1 mt -58.81 -35.2 72.48 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.74 0.305 . . . . 0.0 110.421 179.472 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . 0.465 HG23 HD11 ' B' ' 72' ' ' LEU . 33.1 mt -74.99 -27.72 20.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.664 179.176 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.83 -39.69 34.83 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.815 0.34 . . . . 0.0 110.86 179.461 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' ARG . . . . . 0.571 HH12 HD23 ' B' ' 64' ' ' LEU . 7.9 ttp-105 -82.3 -3.94 56.25 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.073 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . 0.45 ' CB ' ' HG ' ' B' ' 72' ' ' LEU . 89.3 p -55.73 113.94 1.68 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.889 0.376 . . . . 0.0 111.22 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 6.4 mtmt -85.38 65.0 8.97 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.154 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . 0.478 ' HA2' ' HG3' ' A' ' 7' ' ' LYS . . . 86.73 -65.42 3.77 Favored Glycine 0 C--N 1.335 0.504 0 C-N-CA 121.125 -0.559 . . . . 0.0 112.771 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 12.6 pttt -89.61 118.0 28.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.929 0.395 . . . . 0.0 111.712 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.802 HD12 ' CE2' ' A' ' 14' ' ' TYR . 0.6 OUTLIER -103.05 147.09 27.4 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.002 179.611 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' LYS . . . . . 0.457 ' HG3' HG23 ' A' ' 4' ' ' THR . 0.7 OUTLIER -125.49 129.76 50.42 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.433 179.307 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.426 ' SD ' HG21 ' B' ' 45' ' ' VAL . 0.1 OUTLIER -143.48 119.82 10.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.71 -179.892 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.549 HG22 ' HG3' ' A' ' 2' ' ' LYS . 21.7 t -104.43 118.32 51.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.11 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.556 HG11 ' HB3' ' B' ' 43' ' ' ASP . 9.6 m -109.04 158.35 8.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.383 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 . . . . . 0 CA--C 1.53 0.174 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.157 179.851 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.676 0.274 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.882 HG11 ' CD1' ' B' ' 39' ' ' ILE . 22.7 t -117.2 126.58 74.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.935 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.412 HG23 ' HG3' ' B' ' 73' ' ' LYS . 0.2 OUTLIER -128.85 112.18 13.86 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.832 0.348 . . . . 0.0 110.942 179.651 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.544 ' CD2' HG12 ' A' ' 3' ' ' VAL . 3.7 mm? -102.08 155.73 18.0 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.78 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 18.1 t -125.3 98.72 5.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-O 120.765 0.317 . . . . 0.0 110.87 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.58 ' HA ' HD11 ' B' ' 32' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.205 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.059 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.233 0.23 0 CA-C-O 120.87 0.367 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.786 ' HB3' HD23 ' A' ' 16' ' ' LEU . 36.3 m-85 -67.79 -44.89 76.33 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.526 -179.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.0 37.54 94.76 Favored Glycine 0 C--N 1.334 0.458 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.958 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.786 HD23 ' HB3' ' A' ' 14' ' ' TYR . 2.6 pp -118.83 117.03 27.77 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.968 0.413 . . . . 0.0 110.737 179.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.52 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -77.73 105.1 8.67 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.788 -179.775 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.608 HD11 ' CG2' ' B' ' 22' ' ' ILE . 0.2 OUTLIER -89.86 141.79 28.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.298 -179.722 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.565 ' HB2' ' HB2' ' B' ' 25' ' ' LYS . . . -143.09 172.9 12.09 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.093 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.494 ' CB ' HD13 ' B' ' 58' ' ' LEU . 59.1 p -131.46 145.04 51.6 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.948 0.404 . . . . 0.0 111.435 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -109.94 171.66 7.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.858 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.801 HG13 HG22 ' A' ' 53' ' ' THR . 27.9 mm -133.8 133.9 56.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.87 179.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.452 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 10.2 p90 -145.5 177.98 8.45 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.181 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 50.4 t -106.02 113.22 42.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.963 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.445 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 0.5 OUTLIER -55.8 -42.88 76.29 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.449 179.469 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -173.2 174.1 3.46 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.831 0.348 . . . . 0.0 111.255 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.559 ' CD1' HG22 ' A' ' 39' ' ' ILE . 7.2 mm -110.92 134.46 53.14 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.818 179.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.25 147.33 28.99 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.908 0.385 . . . . 0.0 111.082 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.09 148.56 41.76 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.076 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 56.7 37.77 29.04 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.922 -179.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.42 ' CB ' ' HA3' ' B' ' 15' ' ' GLY . 41.4 m -117.3 170.03 9.01 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.193 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.449 HD12 ' HA ' ' B' ' 14' ' ' TYR . 5.6 mt -59.4 -40.84 87.92 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.347 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.438 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -58.34 -38.58 77.47 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.652 0.263 . . . . 0.0 111.13 179.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.76 -34.99 77.9 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.254 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.83 -44.14 23.67 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.059 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -62.23 -38.85 90.8 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.464 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.26 39.68 71.1 Favored Glycine 0 C--N 1.334 0.453 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.749 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.706 ' HB3' HG22 ' B' ' 3' ' ' VAL . 8.1 m-80 -122.93 -50.5 1.94 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.672 0.273 . . . . 0.0 110.93 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.801 HD11 HD11 ' B' ' 5' ' ' LEU . 23.3 mt -74.11 119.14 20.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.587 179.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -108.51 171.13 7.59 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.279 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.35 102.15 5.8 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.99 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.76 6.27 37.91 Favored Glycine 0 CA--C 1.523 0.57 0 C-N-CA 121.141 -0.552 . . . . 0.0 114.053 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -61.64 139.78 58.24 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 117.511 0.656 . . . . 0.0 110.958 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.0 t -95.07 111.52 25.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.805 -179.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.3 t -81.95 138.25 19.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-O 120.894 0.378 . . . . 0.0 111.244 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.577 HD21 ' NE2' ' A' ' 77' ' ' GLN . 4.9 mp -109.23 -41.02 4.77 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.187 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.0 mttp -142.89 161.92 36.84 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.905 0.383 . . . . 0.0 112.019 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.426 HG22 ' ND2' ' A' ' 49' ' ' ASN . 27.9 mt -139.81 121.57 15.86 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.757 179.439 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.426 ' ND2' HG22 ' A' ' 48' ' ' ILE . 20.0 p30 43.01 38.06 1.33 Allowed 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.969 -179.548 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 83.95 40.3 8.82 Favored Glycine 0 C--N 1.336 0.543 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.788 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.9 m -147.53 131.68 17.36 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.693 0.247 . . . . 0.0 110.499 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.3 t -63.39 139.33 21.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 120.618 0.247 . . . . 0.0 110.964 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.801 HG22 HG13 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -114.19 40.68 2.45 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.084 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -121.01 143.28 49.13 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 178.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.434 ' OD1' ' HB1' ' A' ' 19' ' ' ALA . 4.2 m-80 69.25 6.42 5.66 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.464 -178.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.2 ttm -93.19 146.75 23.45 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.712 0.292 . . . . 0.0 110.85 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.0 t -69.93 146.95 50.81 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.8 179.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 60.3 tp -55.98 -32.19 63.7 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.825 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.434 ' O ' ' HG2' ' A' ' 62' ' ' LYS . 0.3 OUTLIER -73.01 -46.3 52.89 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.655 179.696 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -55.49 -35.56 65.7 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 120.709 0.29 . . . . 0.0 110.469 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.91 -35.27 80.62 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.693 179.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 59' ' ' THR . 1.1 ptmt -64.13 -35.11 79.71 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.397 179.145 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.84 -41.93 91.13 Favored 'General case' 0 C--O 1.23 0.064 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.02 179.519 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.04 -35.65 64.7 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.601 179.58 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 36.7 mt -69.24 -31.51 50.11 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 179.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -77.17 -38.89 50.76 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.794 0.33 . . . . 0.0 110.632 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -61.99 -27.87 69.17 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.592 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 80.3 p -54.24 109.42 0.48 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 121.014 0.435 . . . . 0.0 111.215 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -61.48 -37.74 84.74 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.28 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -162.02 -67.99 0.02 OUTLIER Glycine 0 C--N 1.335 0.482 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.457 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -81.56 133.02 35.33 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.848 0.356 . . . . 0.0 110.785 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.719 HD12 ' CE2' ' B' ' 14' ' ' TYR . 0.4 OUTLIER -118.24 117.73 29.92 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.956 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -103.82 130.33 51.36 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.609 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.419 ' HG2' HG23 ' A' ' 48' ' ' ILE . 40.1 mtm -142.81 129.03 19.85 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.614 -0.267 . . . . 0.0 110.99 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.8 t -99.05 126.4 52.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.715 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.3 m -113.97 168.34 6.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.928 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.577 ' NE2' HD21 ' A' ' 46' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.208 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.005 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 79.3 p . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 120.884 0.373 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.97 125.82 47.18 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.429 -179.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' VAL . . . . . 0.706 HG22 ' HB3' ' A' ' 38' ' ' ASN . 23.5 t -103.92 111.14 32.43 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.608 179.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 36.7 m -113.17 105.78 13.86 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.798 0.332 . . . . 0.0 110.655 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.801 HD11 HD11 ' A' ' 39' ' ' ILE . 26.6 mt -105.22 159.18 16.07 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.875 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 19.7 t -133.19 101.71 4.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.674 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.528 ' HB2' ' CE1' ' B' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.216 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.463 -179.661 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.45 -0.456 0 CA-C-O 120.718 0.294 . . . . 0.0 110.755 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . 0.719 ' CE2' HD12 ' A' ' 72' ' ' LEU . 82.5 m-85 -72.11 -28.2 63.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.237 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . 0.42 ' HA3' ' CB ' ' A' ' 31' ' ' SER . . . 61.3 45.7 95.94 Favored Glycine 0 C--N 1.336 0.548 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.904 179.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.663 HD23 ' HB3' ' B' ' 14' ' ' TYR . 2.0 pp -120.87 114.01 20.96 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.0 0.428 . . . . 0.0 110.687 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.445 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -71.55 109.34 5.43 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.249 179.832 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.746 HD11 ' CG2' ' A' ' 22' ' ' ILE . 0.4 OUTLIER -93.54 137.95 32.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.048 0.451 . . . . 0.0 111.79 -179.133 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.603 ' N ' HD13 ' B' ' 18' ' ' LEU . . . -136.08 176.18 8.93 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.742 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 87.6 p -137.64 148.94 46.19 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.011 0.434 . . . . 0.0 111.934 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' HIS . . . . . 0.415 ' HD2' ' CE1' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -122.74 177.91 5.25 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.815 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.608 ' CG2' HD11 ' A' ' 18' ' ' LEU . 22.7 mm -131.81 137.9 53.97 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-O 120.76 0.314 . . . . 0.0 111.244 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.454 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 12.7 p90 -149.28 -178.14 6.23 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.39 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 15.2 t -107.83 113.14 42.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.747 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.565 ' HB2' ' HB2' ' A' ' 19' ' ' ALA . 12.5 tptt -60.98 -40.73 94.57 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.385 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.429 ' HA ' ' HG2' ' B' ' 41' ' ' GLU . 0.4 OUTLIER -173.1 174.67 3.38 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.757 0.313 . . . . 0.0 111.353 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . 0.654 ' CD1' HG22 ' B' ' 39' ' ' ILE . 7.9 mm -123.58 132.97 70.47 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.63 179.581 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 3.6 m -81.61 136.84 35.54 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.759 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -67.15 146.41 54.27 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.967 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 57.55 48.32 14.56 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 121.03 0.443 . . . . 0.0 110.688 -179.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 24.2 m -126.52 174.82 8.36 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.959 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.58 HD11 ' HA ' ' A' ' 7' ' ' LYS . 17.1 mt -60.81 -36.52 79.25 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.385 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.693 ' HB1' ' HB ' ' B' ' 39' ' ' ILE . . . -67.75 -36.25 80.2 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 120.517 0.199 . . . . 0.0 111.165 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.87 -51.1 52.02 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.133 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' B' ' 32' ' ' LEU . 0.0 OUTLIER -66.18 -38.77 88.85 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.955 179.626 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . 0.412 ' HB2' ' O ' ' B' ' 32' ' ' LEU . 16.0 t70 -62.83 -37.08 85.37 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.077 179.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.69 40.5 85.53 Favored Glycine 0 C--N 1.334 0.459 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.77 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.619 ' CB ' HG13 ' A' ' 3' ' ' VAL . 4.8 m-80 -127.85 -49.26 1.36 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.665 0.232 . . . . 0.0 111.159 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . 0.882 ' CD1' HG11 ' A' ' 3' ' ' VAL . 38.6 mm -79.77 119.61 29.51 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.053 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -121.74 169.53 10.64 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.987 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.429 ' HG2' ' HA ' ' B' ' 26' ' ' GLU . 10.1 mt-10 -75.41 119.43 19.49 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.778 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.89 -13.93 52.86 Favored Glycine 0 CA--C 1.523 0.568 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.949 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.33 130.45 39.06 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.803 0.302 . . . . 0.0 111.173 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 22.1 t -96.93 97.79 6.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.719 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . 0.401 HG22 HG12 ' B' ' 76' ' ' VAL . 30.0 t -80.12 111.3 16.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.163 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.4 -38.79 34.02 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.487 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . 0.749 ' CG ' HG22 ' B' ' 52' ' ' VAL . 2.0 mtpt -130.87 148.51 52.65 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.733 0.302 . . . . 0.0 111.382 -179.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.563 HG23 ' HG2' ' B' ' 74' ' ' MET . 36.1 mt -136.18 121.13 26.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.599 179.539 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 59.64 37.01 22.63 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.276 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.77 27.47 66.99 Favored Glycine 0 C--N 1.336 0.575 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.732 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.13 125.42 14.68 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.503 0.192 . . . . 0.0 110.553 -179.527 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.749 HG22 ' CG ' ' B' ' 47' ' ' LYS . 20.6 t -73.37 134.02 30.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.475 179.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.404 ' HB ' HG13 ' B' ' 22' ' ' ILE . 0.8 OUTLIER -110.38 34.73 3.76 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.943 179.836 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . 0.548 ' H ' HG12 ' B' ' 52' ' ' VAL . 0.4 OUTLIER -88.42 143.42 27.0 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.024 179.065 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 6.0 m120 62.22 16.56 8.5 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.743 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -108.95 169.73 8.49 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.751 0.31 . . . . 0.0 111.129 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.3 t -74.27 142.68 45.25 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.583 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.494 HD13 ' CB ' ' A' ' 20' ' ' SER . 44.6 tp -58.31 -33.09 69.09 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.711 179.529 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . 0.446 ' O ' ' HG2' ' B' ' 62' ' ' LYS . 0.2 OUTLIER -63.55 -41.6 98.42 Favored 'General case' 0 N--CA 1.46 0.045 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.761 179.63 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -55.75 -36.92 67.82 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 120.64 0.257 . . . . 0.0 110.482 179.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.39 -35.15 80.07 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.805 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . 0.499 ' HA ' HD12 ' B' ' 65' ' ' ILE . 1.1 pttp -64.72 -34.89 79.39 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.389 179.179 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.07 -40.97 97.43 Favored 'General case' 0 N--CA 1.46 0.049 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.042 179.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.539 HD13 ' HB ' ' B' ' 48' ' ' ILE . 6.7 mt -55.23 -39.67 69.97 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.514 179.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . 0.629 ' HA ' HD11 ' B' ' 72' ' ' LEU . 12.7 mt -69.23 -32.49 53.95 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.858 179.294 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -76.36 -41.03 49.48 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.753 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 4.5 ttt85 -60.22 -31.04 69.8 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.363 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 12.0 t -54.15 107.54 0.28 Allowed 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.872 0.368 . . . . 0.0 111.287 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.58 -33.03 66.46 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.894 179.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -143.76 -85.06 0.07 OUTLIER Glycine 0 C--N 1.337 0.628 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.673 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.82 152.39 22.14 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.918 0.389 . . . . 0.0 111.482 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.701 HD12 ' CE2' ' A' ' 14' ' ' TYR . 0.4 OUTLIER -125.02 151.16 45.94 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.011 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' LYS . . . . . 0.453 ' H ' HD23 ' B' ' 72' ' ' LEU . 32.1 mttt -121.61 139.13 53.93 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.628 179.513 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.563 ' HG2' HG23 ' B' ' 48' ' ' ILE . 8.6 mtm -147.94 123.73 10.57 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.782 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 21.9 t -101.99 117.91 48.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.754 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.401 HG12 HG22 ' B' ' 45' ' ' VAL . 31.4 m -100.48 150.25 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.442 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.229 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.143 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.9 mtpp . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.658 0.266 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.883 HG13 ' HB2' ' B' ' 38' ' ' ASN . 39.6 t -103.4 125.93 57.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.4 m -128.89 105.88 8.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.679 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 67.2 mt -102.48 155.32 18.34 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.034 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.443 ' O ' HD22 ' B' ' 32' ' ' LEU . 21.3 t -124.97 99.56 6.27 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 CA-C-O 120.889 0.376 . . . . 0.0 111.172 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.454 ' HB2' ' CE1' ' A' ' 14' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.232 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.075 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.707 0.289 . . . . 0.0 110.772 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.793 ' HB3' HD23 ' A' ' 16' ' ' LEU . 48.8 m-85 -61.36 -27.7 68.7 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.077 179.631 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.52 33.45 59.0 Favored Glycine 0 C--N 1.337 0.62 0 C-N-CA 121.29 -0.481 . . . . 0.0 113.283 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.793 HD23 ' HB3' ' A' ' 14' ' ' TYR . 2.7 pp -107.58 115.58 30.4 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.945 0.402 . . . . 0.0 110.478 179.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.517 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.1 OUTLIER -72.32 108.37 5.42 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.552 -179.879 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.741 HD11 HG23 ' B' ' 22' ' ' ILE . 1.0 OUTLIER -96.69 127.42 42.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 -179.542 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.628 ' N ' HD13 ' A' ' 18' ' ' LEU . . . -135.04 165.62 24.93 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.968 179.7 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.413 ' OG ' ' HA ' ' A' ' 55' ' ' ASN . 56.6 p -119.31 152.67 36.34 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.87 0.366 . . . . 0.0 111.156 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.438 ' HD2' ' CE1' ' B' ' 23' ' ' PHE . 0.1 OUTLIER -117.87 177.56 4.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.783 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 28.5 mm -132.85 126.83 54.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.881 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.825 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 21.6 p90 -129.79 174.67 9.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.595 HG21 HG23 ' A' ' 39' ' ' ILE . 25.3 t -98.21 111.89 29.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.09 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.494 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 8.5 tptt -67.65 -36.89 81.58 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.359 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -174.02 176.57 2.54 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.838 0.352 . . . . 0.0 111.229 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.548 HG21 ' HB3' ' A' ' 33' ' ' ALA . 3.6 mp -141.02 136.54 33.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.741 179.461 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.8 m -68.47 152.31 45.57 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.844 0.354 . . . . 0.0 111.251 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -79.02 144.06 35.05 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.927 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 57.13 32.13 21.18 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.23 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.1 p -99.75 -178.3 3.83 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.839 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.4 mt -59.96 -35.18 74.43 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.071 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.63 ' HB2' ' CD2' ' B' ' 16' ' ' LEU . . . -70.17 -38.77 75.48 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.087 179.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.06 -42.78 95.24 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.765 0.317 . . . . 0.0 111.033 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -35.36 69.02 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.72 179.401 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -73.36 -38.16 65.81 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.431 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.9 34.93 91.23 Favored Glycine 0 C--N 1.335 0.501 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.506 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.721 ' HB3' HG22 ' B' ' 3' ' ' VAL . 5.6 m-80 -112.33 -27.22 8.39 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.595 HG23 HG21 ' A' ' 24' ' ' VAL . 3.0 mt -107.59 132.73 54.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 120.646 0.26 . . . . 0.0 111.283 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -134.42 159.95 39.5 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -60.48 120.11 9.32 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.788 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.31 -16.76 44.88 Favored Glycine 0 CA--C 1.523 0.558 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.859 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.22 144.57 19.7 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 120.747 0.308 . . . . 0.0 111.347 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.5 t -108.45 122.4 62.91 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.023 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.9 t -93.1 130.65 41.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.399 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.04 -45.24 5.73 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.708 179.467 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.9 mtpt -137.58 153.42 49.94 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.392 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 30.4 mt -136.9 120.78 22.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.619 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 57.69 35.38 25.55 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.212 -179.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.92 31.18 54.31 Favored Glycine 0 CA--C 1.522 0.493 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.901 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.61 131.65 20.43 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.679 0.239 . . . . 0.0 110.706 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.44 HG12 ' H ' ' A' ' 54' ' ' GLU . 6.4 t -67.42 143.91 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.687 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.27 31.46 6.67 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.454 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.44 ' H ' HG12 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -88.76 148.71 23.81 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 120.717 0.294 . . . . 0.0 110.32 179.19 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.521 ' HB2' HD22 ' B' ' 58' ' ' LEU . 6.6 p30 53.19 17.24 0.94 Allowed 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.67 -0.696 . . . . 0.0 112.145 -179.334 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.1 ttm -95.03 142.88 26.99 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.652 0.263 . . . . 0.0 110.595 179.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.37 143.85 48.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.829 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.761 HD11 ' HA ' ' B' ' 19' ' ' ALA . 1.1 tp -53.13 -33.23 51.46 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.021 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.18 -40.8 64.52 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.757 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -55.43 -41.92 73.46 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.243 179.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.53 -36.63 78.89 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.555 179.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 63' ' ' THR . 0.0 OUTLIER -62.41 -32.94 73.86 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.658 179.312 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.424 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 0.2 OUTLIER -63.06 -41.84 99.55 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.97 179.58 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.84 -34.55 67.87 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.853 0.359 . . . . 0.0 110.224 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 16.9 mm -71.13 -31.91 46.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.691 179.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.68 -46.01 27.39 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.056 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -57.19 -32.82 66.85 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.977 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.429 ' CB ' ' HG ' ' A' ' 72' ' ' LEU . 75.2 m -70.58 97.09 1.27 Allowed 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.872 0.368 . . . . 0.0 110.752 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.76 38.85 1.39 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.035 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 172.6 -102.62 0.18 Allowed Glycine 0 C--N 1.334 0.431 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.558 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -84.24 130.5 34.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.81 0.338 . . . . 0.0 111.056 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.698 HD12 ' CZ ' ' B' ' 14' ' ' TYR . 0.4 OUTLIER -117.48 132.44 56.55 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.035 -179.889 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.0 mtmt -114.65 130.83 56.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.667 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 18.3 mtm -140.53 123.51 16.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.688 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.8 t -98.26 118.13 44.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.031 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 6.5 m -108.49 167.06 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.471 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 . . . . . 0 CA--C 1.531 0.213 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.54 -179.617 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 7.8 m . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 120.587 0.232 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 7.7 mttm -133.14 128.26 35.68 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.178 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' VAL . . . . . 0.721 HG22 ' HB3' ' A' ' 38' ' ' ASN . 43.8 t -104.16 126.97 58.77 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.818 179.732 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 1.5 m -128.94 105.65 8.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.779 0.323 . . . . 0.0 110.805 179.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 68.1 mt -100.17 152.13 20.62 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.745 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 25.6 t -127.24 101.52 7.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 120.861 0.363 . . . . 0.0 111.153 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.432 ' HB2' ' CE1' ' B' ' 14' ' ' TYR . 0.9 OUTLIER . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.736 179.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 C--O 1.233 0.201 0 CA-C-O 120.691 0.281 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . 0.698 ' CZ ' HD12 ' A' ' 72' ' ' LEU . 15.0 m-85 -66.8 -38.84 87.28 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.207 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.42 49.22 61.36 Favored Glycine 0 C--N 1.337 0.63 0 C-N-CA 121.131 -0.556 . . . . 0.0 112.429 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.63 ' CD2' ' HB2' ' A' ' 33' ' ' ALA . 0.6 OUTLIER -106.75 142.1 36.93 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.919 0.39 . . . . 0.0 111.535 -179.226 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.494 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -103.94 122.12 44.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.974 179.02 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.428 HD11 HG22 ' A' ' 24' ' ' VAL . 2.5 mp -124.71 153.42 42.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.081 0.467 . . . . 0.0 111.914 -179.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.825 ' HB3' ' CZ ' ' A' ' 23' ' ' PHE . . . -143.1 -177.18 5.23 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.821 179.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . 0.616 ' HB3' HD12 ' A' ' 58' ' ' LEU . 53.5 p -132.05 149.96 52.28 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.954 0.407 . . . . 0.0 112.03 -179.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' HIS . . . . . 0.443 ' HD2' ' CE1' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -123.29 -179.34 4.27 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.447 179.57 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.741 HG23 HD11 ' A' ' 18' ' ' LEU . 40.5 mm -129.5 138.03 55.33 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-O 120.775 0.321 . . . . 0.0 111.173 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.587 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 6.3 p90 -146.79 178.81 8.03 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.039 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 19.6 t -108.0 110.96 33.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.038 179.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.517 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 10.2 tptm -56.08 -45.47 79.34 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.048 179.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -176.46 170.97 2.44 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.099 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 2.1 mt -117.97 131.99 69.09 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.169 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 60.1 m -78.82 150.3 32.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.149 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -74.74 152.11 39.1 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.975 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 57.7 33.15 22.88 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.097 -179.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 1.7 m -110.77 171.84 7.22 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.961 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.443 HD22 ' O ' ' A' ' 6' ' ' VAL . 18.5 mt -61.4 -40.32 93.94 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.221 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.443 ' HB2' HD12 ' B' ' 39' ' ' ILE . . . -64.94 -47.57 77.2 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.057 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.92 -38.25 87.7 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.996 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 55.4 mtp85 -71.1 -41.33 70.74 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.82 -32.73 69.88 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.682 -0.235 . . . . 0.0 111.28 179.732 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.25 39.26 94.35 Favored Glycine 0 C--N 1.333 0.392 0 C-N-CA 120.911 -0.661 . . . . 0.0 113.036 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.883 ' HB2' HG13 ' A' ' 3' ' ' VAL . 19.7 m120 -111.75 -48.49 3.06 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.813 0.306 . . . . 0.0 111.024 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . 0.47 ' CG1' HG11 ' A' ' 3' ' ' VAL . 24.0 mt -74.84 144.85 11.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.367 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -132.46 146.49 51.97 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.804 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -61.53 117.21 5.43 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.609 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.83 -13.84 49.67 Favored Glycine 0 CA--C 1.523 0.588 0 C-N-CA 120.849 -0.691 . . . . 0.0 113.014 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -56.01 135.36 52.6 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.958 0.379 . . . . 0.0 111.042 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.1 t -98.91 100.43 10.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.605 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 21.8 t -68.23 120.48 15.72 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.202 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.433 HD22 ' HA ' ' B' ' 46' ' ' LEU . 0.2 OUTLIER -85.77 -47.72 9.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.884 179.788 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -137.65 150.46 47.4 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.408 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 19.4 mt -126.71 120.87 57.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.381 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 58.55 31.55 21.16 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.17 -179.595 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.32 35.02 27.66 Favored Glycine 0 C--N 1.336 0.544 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.92 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.18 133.72 19.79 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.809 0.305 . . . . 0.0 110.839 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.683 HG12 ' H ' ' B' ' 54' ' ' GLU . 20.7 t -68.77 144.22 14.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.636 179.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.441 ' HB ' HG13 ' B' ' 22' ' ' ILE . 0.2 OUTLIER -121.75 21.58 10.72 Favored 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -179.658 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . 0.683 ' H ' HG12 ' B' ' 52' ' ' VAL . 7.7 tm-20 -88.25 151.81 22.39 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 120.744 0.307 . . . . 0.0 110.21 179.096 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 3.0 p30 58.96 8.32 0.96 Allowed 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.549 -0.751 . . . . 0.0 112.676 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' MET . . . . . 0.435 ' HE3' ' HA ' ' B' ' 53' ' ' THR . 1.9 ttm -97.94 160.62 14.19 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.728 0.299 . . . . 0.0 110.738 179.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 18.4 m -67.46 145.68 54.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.624 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.521 HD22 ' HB2' ' A' ' 55' ' ' ASN . 27.2 tp -55.27 -32.57 62.48 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.592 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.71 -37.91 89.2 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.735 179.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.63 -44.75 85.79 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-O 120.769 0.319 . . . . 0.0 110.638 179.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.61 -38.14 74.43 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.644 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.05 -36.61 82.42 Favored 'General case' 0 N--CA 1.462 0.125 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.488 179.154 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.93 -44.1 94.54 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.0 -37.65 69.43 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.397 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . 0.561 HG23 HD11 ' B' ' 72' ' ' LEU . 24.8 mt -77.13 -30.24 17.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.768 179.134 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -75.24 -44.67 44.84 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.768 0.318 . . . . 0.0 110.799 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -58.54 -30.59 67.22 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.153 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 3.5 m -53.46 113.83 1.3 Allowed 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.275 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? -96.9 34.08 1.78 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.772 179.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 148.0 -89.88 0.15 Allowed Glycine 0 C--N 1.336 0.537 0 C-N-CA 121.106 -0.568 . . . . 0.0 112.389 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 pttp -75.88 138.53 41.13 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.02 0.438 . . . . 0.0 111.39 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.757 HD12 ' CZ ' ' A' ' 14' ' ' TYR . 0.6 OUTLIER -125.04 146.67 49.33 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.798 179.682 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.7 131.68 51.32 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.107 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 13.1 mtp -140.49 122.88 15.98 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.767 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 21.8 t -98.46 119.67 46.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.097 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 13.2 m -110.6 174.47 1.95 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.255 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.171 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.467 ' HG3' HG13 ' B' ' 75' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--O 1.233 0.215 0 CA-C-O 120.573 0.225 . . . . 0.0 110.919 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.693 HG22 ' HB3' ' B' ' 38' ' ' ASN . 28.1 t -103.43 125.76 57.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.792 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 m -127.65 106.0 8.85 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.75 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.688 HD11 HD11 ' B' ' 39' ' ' ILE . 51.9 mt -104.16 159.87 15.33 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.876 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.457 HG13 ' HG2' ' B' ' 71' ' ' LYS . 12.9 t -136.49 106.49 5.28 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.006 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.774 ' HA ' HD11 ' B' ' 32' ' ' LEU . 4.9 ptpt . . . . . 0 N--CA 1.47 0.556 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.817 0.341 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.722 ' CD2' HD12 ' B' ' 72' ' ' LEU . 15.8 m-85 -66.62 -46.55 75.47 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.205 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.52 52.35 48.54 Favored Glycine 0 C--N 1.337 0.587 0 C-N-CA 121.139 -0.553 . . . . 0.0 112.803 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.635 HD23 ' HB3' ' A' ' 14' ' ' TYR . 2.3 pp -121.17 124.6 45.11 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.935 0.397 . . . . 0.0 110.959 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.422 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 10.1 mtt180 -73.6 118.63 16.78 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.665 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.714 HD11 HG23 ' B' ' 22' ' ' ILE . 0.2 OUTLIER -107.19 129.1 54.9 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.24 -179.903 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.607 ' HB3' ' CZ ' ' B' ' 23' ' ' PHE . . . -132.49 -179.72 5.62 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.827 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 62.5 p -135.81 155.89 49.64 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.177 0.513 . . . . 0.0 111.77 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.402 ' HD2' ' CE1' ' B' ' 23' ' ' PHE . 0.1 OUTLIER -125.19 175.09 7.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.481 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.911 HG13 HG22 ' A' ' 53' ' ' THR . 30.7 mm -134.63 132.36 54.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.151 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.609 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 8.0 p90 -140.73 177.13 8.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.005 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.7 t -102.13 114.01 40.28 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-O 120.965 0.412 . . . . 0.0 111.322 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.479 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 36.4 tptt -59.83 -44.6 93.96 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.527 179.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.411 ' HA ' ' HB3' ' A' ' 41' ' ' GLU . 0.7 OUTLIER 179.6 -179.63 0.44 Allowed 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.867 0.365 . . . . 0.0 110.967 -179.566 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.522 HG23 ' HB3' ' A' ' 33' ' ' ALA . 3.4 mp -120.1 133.25 67.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.589 179.31 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.512 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 38.3 m -75.03 156.61 36.0 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.285 -179.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -82.76 144.75 29.96 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.117 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 56.53 35.86 26.67 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.11 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.7 m -115.33 171.16 7.87 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.592 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.577 HD12 ' HA ' ' B' ' 14' ' ' TYR . 27.9 mt -57.84 -43.69 85.99 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.09 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.522 ' HB3' HG23 ' A' ' 27' ' ' ILE . . . -64.88 -45.16 87.16 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.477 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 28' ' ' SER . . . -66.57 -36.44 82.66 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.077 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -75.71 -46.81 29.05 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.808 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.435 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 1.3 t0 -60.34 -37.63 81.27 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.706 0.288 . . . . 0.0 111.044 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.66 33.95 87.56 Favored Glycine 0 C--N 1.335 0.511 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.384 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.739 ' HB3' HG13 ' B' ' 3' ' ' VAL . 1.5 m-80 -106.01 -31.65 8.65 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.526 0.203 . . . . 0.0 111.525 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.855 ' CG1' HG11 ' B' ' 3' ' ' VAL . 21.7 mt -96.57 146.07 7.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.013 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -129.83 155.07 46.58 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.055 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.411 ' HB3' ' HA ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -78.73 129.72 34.99 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.722 0.296 . . . . 0.0 110.938 179.563 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.64 -14.68 53.5 Favored Glycine 0 CA--C 1.522 0.506 0 C-N-CA 120.814 -0.708 . . . . 0.0 113.747 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 51.8 p-10 -74.85 157.64 34.76 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 117.646 0.723 . . . . 0.0 110.975 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 25.7 t -111.37 117.12 54.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.344 -178.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.4 t -82.76 135.59 24.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.353 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.4 tt -102.99 -38.38 7.37 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.37 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.9 mttm -135.79 151.94 50.59 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -179.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 52.4 mt -139.13 126.83 26.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.639 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 20.1 p30 45.69 33.35 1.44 Allowed 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.215 0.606 . . . . 0.0 111.783 -179.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 83.24 38.67 10.75 Favored Glycine 0 C--N 1.337 0.615 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.829 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.32 137.88 20.96 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.688 0.244 . . . . 0.0 110.521 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 38.5 t -64.37 149.09 11.32 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.769 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.911 HG22 HG13 ' A' ' 22' ' ' ILE . 0.6 OUTLIER -132.47 56.52 1.83 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.355 0.597 . . . . 0.0 111.0 179.861 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -135.47 140.32 44.75 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.432 -0.803 . . . . 0.0 109.67 178.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.656 ' O ' HD22 ' B' ' 58' ' ' LEU . 1.6 m-20 67.72 8.01 6.09 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.921 -179.307 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -93.8 169.43 10.31 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.736 0.303 . . . . 0.0 110.791 179.272 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.9 t -84.15 148.08 26.97 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.668 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.636 HD22 ' O ' ' B' ' 55' ' ' ASN . 19.4 tp -56.69 -30.78 63.8 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.653 179.49 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.2 -37.96 81.45 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.414 179.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -59.92 -39.32 85.05 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.629 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.664 ' HA ' HD12 ' A' ' 64' ' ' LEU . . . -58.1 -39.29 78.24 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.794 179.411 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.7 mmmt -62.22 -36.68 82.68 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.381 179.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.98 -39.02 92.85 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.973 179.551 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.664 HD12 ' HA ' ' A' ' 61' ' ' ALA . 28.7 mt -55.7 -34.34 65.0 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.718 179.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 16.2 mt -76.14 -30.94 20.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.923 179.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -74.25 -54.92 6.7 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.948 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.78 -26.2 65.52 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.511 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 m -56.86 115.55 2.65 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.842 0.353 . . . . 0.0 111.141 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.16 105.74 17.73 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.271 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 81.14 -113.34 3.62 Favored Glycine 0 C--N 1.336 0.536 0 C-N-CA 121.218 -0.515 . . . . 0.0 113.204 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.495 ' HE3' HG13 ' B' ' 6' ' ' VAL . 0.0 OUTLIER -69.6 153.35 43.57 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.745 0.307 . . . . 0.0 111.216 -179.601 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.729 HD12 ' CE2' ' B' ' 14' ' ' TYR . 0.4 OUTLIER -130.17 131.05 45.46 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.152 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.85 135.89 48.49 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.946 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 2.0 mtm -136.37 121.36 18.83 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.525 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.6 t -99.04 131.69 45.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.056 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.6 t -103.28 156.75 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.837 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 . . . . . 0 CA--C 1.529 0.153 0 CA-C-O 120.886 0.374 . . . . 0.0 111.499 -179.919 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 120.716 0.293 . . . . 0.0 111.198 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -124.11 142.79 50.91 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.037 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' VAL . . . . . 0.855 HG11 ' CG1' ' A' ' 39' ' ' ILE . 24.1 t -127.68 128.57 69.64 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.964 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 6.6 m -129.0 107.36 9.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.151 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.638 ' CD2' HG12 ' B' ' 3' ' ' VAL . 3.8 mm? -100.45 160.17 14.55 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.793 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . 0.495 HG13 ' HE3' ' A' ' 71' ' ' LYS . 21.9 t -124.94 100.14 6.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.938 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.535 ' HB2' ' CZ ' ' B' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.236 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.324 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 . . . . . 0 C--O 1.234 0.268 0 CA-C-O 120.689 0.281 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . 0.88 ' HB3' HD23 ' B' ' 16' ' ' LEU . 48.9 m-85 -54.94 -47.85 73.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.087 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.38 45.68 95.43 Favored Glycine 0 C--N 1.336 0.54 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.422 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.88 HD23 ' HB3' ' B' ' 14' ' ' TYR . 2.4 pp -115.21 111.66 21.3 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.988 0.423 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.479 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -74.59 114.56 13.15 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.049 179.666 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.564 HD21 ' CG2' ' A' ' 22' ' ' ILE . 0.1 OUTLIER -109.42 164.74 12.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.917 0.389 . . . . 0.0 111.321 -179.636 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.609 ' HB3' ' CZ ' ' A' ' 23' ' ' PHE . . . -157.3 177.75 11.1 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.214 -179.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 93.3 p -133.09 152.42 51.95 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.96 0.409 . . . . 0.0 111.162 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' HIS . . . . . 0.58 ' C ' HD12 ' B' ' 22' ' ' ILE . 0.1 OUTLIER -123.72 163.64 20.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.1 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.746 HD13 ' O ' ' B' ' 53' ' ' THR . 1.7 mp -122.75 134.29 66.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.407 179.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.607 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 7.6 p90 -143.48 178.03 8.05 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.358 -179.482 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 23.1 t -107.66 110.39 31.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.91 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.422 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 1.3 tttp -59.97 -41.36 91.81 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.296 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -172.66 175.22 3.5 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.952 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . 0.421 HD11 ' C ' ' B' ' 40' ' ' GLN . 3.3 mp -130.31 144.82 36.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 69.2 m -85.82 139.89 30.9 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 5.5 pm0 -74.13 158.23 34.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.527 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 56.68 34.98 25.46 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.248 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 1.6 m -120.61 178.33 4.72 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.728 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.774 HD11 ' HA ' ' A' ' 7' ' ' LYS . 42.9 mt -59.79 -39.65 85.64 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.299 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.06 -45.81 91.91 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.152 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.12 -37.71 83.76 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.059 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -74.07 -43.78 56.49 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.691 179.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -64.65 -37.04 86.2 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.101 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.6 37.63 93.81 Favored Glycine 0 C--N 1.336 0.569 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.573 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.693 ' HB3' HG22 ' A' ' 3' ' ' VAL . 2.5 m-80 -114.35 -40.5 3.63 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 -179.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . 0.688 HD11 HD11 ' A' ' 5' ' ' LEU . 8.1 mt -86.53 132.92 31.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-O 120.754 0.312 . . . . 0.0 111.245 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.421 ' C ' HD11 ' B' ' 27' ' ' ILE . 4.6 tp60 -129.7 149.21 51.55 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.68 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 53.6 tt0 -55.81 116.23 2.83 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.636 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.56 -2.35 46.0 Favored Glycine 0 CA--C 1.525 0.664 0 C-N-CA 120.863 -0.684 . . . . 0.0 113.171 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -58.36 142.55 47.91 Favored 'General case' 0 C--N 1.341 0.22 0 CA-C-N 117.034 0.417 . . . . 0.0 110.947 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 22.6 t -106.42 98.46 6.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.81 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 23.7 t -80.29 101.4 5.33 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.148 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.436 HD21 HG12 ' B' ' 75' ' ' VAL . 0.6 OUTLIER -78.74 -31.07 46.12 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.642 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . 0.434 ' HD2' HD12 ' B' ' 46' ' ' LEU . 7.6 mttt -139.39 156.44 46.99 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 120.812 0.339 . . . . 0.0 111.232 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.462 ' HB ' HD22 ' B' ' 64' ' ' LEU . 34.8 mt -142.14 121.73 10.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.593 179.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 60.35 34.01 20.75 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.33 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.33 25.15 64.16 Favored Glycine 0 C--N 1.335 0.519 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.673 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 4.8 m -131.8 139.4 48.88 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.657 0.265 . . . . 0.0 110.42 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 34.5 t -69.35 134.83 29.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.852 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.746 ' O ' HD13 ' B' ' 22' ' ' ILE . 1.0 OUTLIER -121.07 46.39 2.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.618 179.566 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -118.54 143.14 46.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.016 179.117 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . 0.636 ' O ' HD22 ' A' ' 58' ' ' LEU . 3.7 m-20 69.42 6.28 5.61 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.58 -179.385 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -94.61 159.32 15.13 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.75 0.31 . . . . 0.0 110.893 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 2.8 m -65.67 151.49 46.42 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.814 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.656 HD22 ' O ' ' A' ' 55' ' ' ASN . 47.9 tp -55.6 -31.15 62.0 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.405 179.254 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.28 -38.5 71.84 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.797 179.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.58 -41.64 70.12 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-O 120.753 0.311 . . . . 0.0 110.245 179.323 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.83 -37.64 87.6 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.259 178.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' B' ' 63' ' ' THR . 0.0 OUTLIER -65.33 -31.98 73.39 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.742 179.258 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' THR . . . . . 0.45 ' N ' ' HG3' ' B' ' 62' ' ' LYS . 0.9 OUTLIER -66.58 -44.06 83.22 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.035 179.882 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.462 HD22 ' HB ' ' B' ' 48' ' ' ILE . 0.8 OUTLIER -55.35 -37.47 67.53 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.8 0.333 . . . . 0.0 110.288 179.59 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . 0.5 HG23 HD11 ' B' ' 72' ' ' LEU . 40.3 mt -70.67 -31.38 45.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.608 178.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -76.56 -41.65 45.71 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.751 179.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 -59.34 -27.2 65.7 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.477 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 16.8 t -52.95 114.7 1.52 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 120.732 0.301 . . . . 0.0 111.229 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -94.87 34.97 1.29 Allowed 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.356 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . 0.513 ' HA2' ' CG ' ' A' ' 7' ' ' LYS . . . 132.83 -65.51 0.59 Allowed Glycine 0 C--N 1.336 0.535 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.528 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . 0.457 ' HG2' HG13 ' A' ' 6' ' ' VAL . 6.3 mttt -91.88 114.15 26.62 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.685 0.279 . . . . 0.0 110.897 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.722 HD12 ' CD2' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -97.79 137.68 36.3 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.044 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -124.14 122.15 37.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.695 179.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 14.6 mtp -133.65 118.16 17.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.637 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.467 HG13 ' HG3' ' A' ' 2' ' ' LYS . 36.8 t -98.01 127.99 49.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.753 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 33.5 m -115.13 173.59 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.519 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? . . . . . 0 C--O 1.233 0.207 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.015 179.747 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.4 tttt . . . . . 0 N--CA 1.463 0.181 0 CA-C-O 120.858 0.361 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.693 HG13 ' CB ' ' B' ' 38' ' ' ASN . 20.2 t -119.76 133.45 66.51 Favored 'Isoleucine or valine' 0 C--O 1.231 0.13 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.006 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.87 114.43 16.5 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.929 179.721 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.703 HD21 HD11 ' B' ' 39' ' ' ILE . 26.0 mt -111.99 159.08 18.77 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.099 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 20.9 t -134.22 104.78 6.08 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.959 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.501 ' HA ' HD11 ' B' ' 32' ' ' LEU . 23.9 ttmt . . . . . 0 N--CA 1.464 0.266 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.142 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.824 0.345 . . . . 0.0 110.728 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.782 ' HB3' HD23 ' A' ' 16' ' ' LEU . 19.7 m-85 -74.34 -33.8 63.24 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.375 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.01 28.24 63.43 Favored Glycine 0 C--N 1.336 0.544 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.628 -179.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.782 HD23 ' HB3' ' A' ' 14' ' ' TYR . 3.2 pp -95.22 138.82 32.41 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.852 0.358 . . . . 0.0 111.112 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.695 ' C ' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -114.04 135.97 53.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.657 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.695 HD23 ' C ' ' A' ' 17' ' ' ARG . 1.4 mt -120.45 169.05 10.69 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-O 121.532 0.682 . . . . 0.0 111.415 179.107 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.766 ' HB3' ' CZ ' ' B' ' 23' ' ' PHE . . . -156.31 171.64 19.87 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.418 -1.264 . . . . 0.0 110.013 178.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 64.3 p -128.66 146.53 50.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.16 0.505 . . . . 0.0 112.165 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.493 ' HD2' ' CE1' ' B' ' 23' ' ' PHE . 0.2 OUTLIER -115.03 178.43 4.28 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.162 179.299 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.772 HG23 HD11 ' B' ' 18' ' ' LEU . 33.6 mm -130.04 131.68 65.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.7 0.286 . . . . 0.0 111.22 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.625 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 15.4 p90 -142.08 177.02 8.51 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.412 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.2 t -106.11 112.61 40.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.959 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.458 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 9.1 tttp -64.49 -38.13 89.93 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.41 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -177.35 174.76 1.56 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.75 0.309 . . . . 0.0 110.928 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.1 mp -131.09 139.44 51.02 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.201 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.8 t -83.85 154.06 23.68 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.305 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -84.9 156.11 21.39 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.079 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 57.79 31.76 20.93 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.284 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.4 m -119.04 173.94 6.6 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.787 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.495 HD11 ' HA ' ' B' ' 7' ' ' LYS . 34.4 mt -57.78 -44.49 86.28 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.06 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.527 ' CB ' HD12 ' A' ' 39' ' ' ILE . . . -60.25 -45.91 91.61 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.08 179.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.06 -37.15 83.54 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.268 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.62 -49.04 43.86 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.214 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.5 -32.47 74.12 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.572 0.225 . . . . 0.0 111.224 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.67 35.91 92.65 Favored Glycine 0 C--N 1.336 0.538 0 C-N-CA 121.013 -0.613 . . . . 0.0 113.111 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.791 ' HB2' HG13 ' B' ' 3' ' ' VAL . 89.6 m-20 -107.86 -33.35 7.26 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.783 0.291 . . . . 0.0 111.511 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.875 HD11 HD11 ' B' ' 5' ' ' LEU . 18.6 mt -90.82 140.42 16.0 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 CA-C-O 120.71 0.291 . . . . 0.0 111.346 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -135.38 150.03 49.82 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.978 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -62.84 127.59 31.98 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.796 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 98.94 -17.63 57.94 Favored Glycine 0 CA--C 1.522 0.518 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.711 -179.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -55.9 139.43 46.04 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.769 0.319 . . . . 0.0 110.923 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 20.8 t -100.94 98.56 7.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.997 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.541 ' HA ' HG12 ' A' ' 76' ' ' VAL . 29.0 t -75.89 89.26 0.78 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.049 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.3 tt -68.51 -44.16 75.25 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.315 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.58 154.28 38.15 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 120.802 0.334 . . . . 0.0 111.235 -179.485 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.547 ' HB ' HD13 ' A' ' 64' ' ' LEU . 34.8 mt -141.0 114.21 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.596 179.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 58.97 35.58 24.15 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.384 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.7 32.49 45.77 Favored Glycine 0 C--N 1.335 0.495 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.638 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.38 120.06 9.2 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.604 0.24 . . . . 0.0 110.638 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.528 HG12 ' H ' ' A' ' 54' ' ' GLU . 31.6 t -66.79 133.97 30.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.724 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.409 ' HB ' HG13 ' A' ' 22' ' ' ILE . 0.6 OUTLIER -115.83 37.1 3.74 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.478 -179.793 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.528 ' H ' HG12 ' A' ' 52' ' ' VAL . 10.0 tt0 -93.93 142.85 26.91 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 179.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.553 ' OD1' ' HB1' ' A' ' 19' ' ' ALA . 5.9 m-20 69.57 6.53 5.75 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.205 -179.543 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.0 ttm -93.01 178.04 5.88 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.748 0.308 . . . . 0.0 110.59 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.2 p -87.88 149.87 23.85 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.506 179.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.553 HD22 ' O ' ' B' ' 55' ' ' ASN . 16.4 tp -57.18 -29.35 63.59 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.554 -0.293 . . . . 0.0 110.772 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.97 -39.31 93.29 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.839 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.17 -42.24 76.75 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.766 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.17 -44.15 87.8 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.76 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.1 mttp -60.8 -35.51 76.68 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.634 179.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.7 m -63.61 -46.35 86.13 Favored 'General case' 0 N--CA 1.462 0.125 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.225 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.547 HD13 ' HB ' ' A' ' 48' ' ' ILE . 6.2 mt -56.04 -37.67 69.54 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.866 0.365 . . . . 0.0 110.162 179.591 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.452 ' HA ' HD11 ' A' ' 72' ' ' LEU . 39.8 mt -75.22 -29.52 21.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.736 178.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.74 -50.27 15.77 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.74 0.305 . . . . 0.0 110.974 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 19.3 ttt-85 -60.71 -28.75 68.88 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.239 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.452 ' CB ' ' HG ' ' A' ' 72' ' ' LEU . 9.4 m -65.58 89.63 0.1 Allowed 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.009 0.433 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.1 mttm -91.29 54.76 2.64 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.232 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 158.14 -117.86 0.8 Allowed Glycine 0 C--N 1.334 0.44 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.295 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.43 140.72 43.09 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.843 0.354 . . . . 0.0 111.333 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.784 HD12 ' CZ ' ' B' ' 14' ' ' TYR . 0.5 OUTLIER -124.9 144.74 50.17 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.672 179.905 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.39 136.16 53.15 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.779 179.734 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.505 ' HG3' HG23 ' A' ' 48' ' ' ILE . 0.8 OUTLIER -141.54 126.17 17.9 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.013 -179.905 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.2 t -100.63 117.16 45.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.541 HG12 ' HA ' ' A' ' 45' ' ' VAL . 28.0 m -119.33 162.7 17.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.588 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.203 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.213 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 1' ' ' THR . . . . . 0.52 ' HB ' HG23 ' A' ' 76' ' ' VAL . 1.3 m . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 120.598 0.237 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.92 132.12 52.18 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.8 0.334 . . . . 0.0 111.336 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' VAL . . . . . 0.791 HG13 ' HB2' ' A' ' 38' ' ' ASN . 38.3 t -112.02 123.56 67.9 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.138 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 4.9 m -127.02 112.16 14.9 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.819 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.875 HD11 HD11 ' A' ' 39' ' ' ILE . 41.1 mt -110.8 157.69 19.52 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.051 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 33.2 t -123.41 103.32 12.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.099 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.515 ' HB2' ' CZ ' ' B' ' 14' ' ' TYR . 2.0 ttmt . . . . . 0 N--CA 1.462 0.17 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.301 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.899 0.381 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . 0.784 ' CZ ' HD12 ' A' ' 72' ' ' LEU . 61.8 m-85 -68.74 -29.46 67.86 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.391 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.15 46.99 92.94 Favored Glycine 0 C--N 1.335 0.515 0 C-N-CA 121.284 -0.484 . . . . 0.0 113.018 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.753 HD23 ' HB3' ' B' ' 14' ' ' TYR . 2.4 pp -124.77 129.27 50.14 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.777 0.323 . . . . 0.0 110.973 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.458 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 1.3 mmt85 -82.68 117.66 22.78 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.705 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.772 HD11 HG23 ' A' ' 22' ' ' ILE . 0.6 OUTLIER -106.4 132.0 52.95 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.992 -179.765 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.625 ' HB3' ' CZ ' ' A' ' 23' ' ' PHE . . . -136.15 175.45 9.59 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.211 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . 0.453 ' OG ' HD13 ' A' ' 58' ' ' LEU . 58.3 p -141.01 150.16 42.68 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.923 0.392 . . . . 0.0 111.703 -179.737 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' HIS . . . . . 0.464 ' HD2' ' CE1' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -114.75 177.16 4.75 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.109 179.718 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.405 HG13 ' HB ' ' B' ' 53' ' ' THR . 26.8 mm -132.54 120.82 43.66 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.365 179.273 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.766 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 20.9 p90 -125.51 -175.93 3.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.372 -179.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t -96.57 113.68 31.54 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-O 120.861 0.362 . . . . 0.0 111.54 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.562 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 21.7 tptp -66.47 -40.71 89.49 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.786 179.136 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.446 ' HG3' ' HB2' ' A' ' 17' ' ' ARG . 2.1 pt-20 179.92 172.83 0.99 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.961 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . 0.446 ' CG2' ' HB3' ' B' ' 33' ' ' ALA . 2.7 mt -133.75 137.47 52.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.184 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.977 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.59 149.88 34.76 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.157 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -75.51 150.0 38.27 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.824 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 57.36 37.4 27.99 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.026 -179.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.95 174.31 5.96 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.825 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.501 HD11 ' HA ' ' A' ' 7' ' ' LYS . 42.5 mt -58.62 -41.91 86.99 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.176 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.52 ' HB1' ' HB ' ' B' ' 39' ' ' ILE . . . -61.14 -46.71 89.45 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.218 179.673 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.13 -38.68 83.82 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.076 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.87 -39.32 51.51 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.895 179.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -63.09 -35.9 81.81 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.386 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.75 35.18 84.94 Favored Glycine 0 C--N 1.334 0.456 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.419 -179.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.693 ' CB ' HG13 ' A' ' 3' ' ' VAL . 3.0 m-80 -121.65 -53.5 1.98 Allowed 'General case' 0 C--N 1.334 -0.082 0 CA-C-O 120.606 0.241 . . . . 0.0 110.911 -179.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . 0.703 HD11 HD21 ' A' ' 5' ' ' LEU . 3.3 mp -72.41 123.22 26.56 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.817 179.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -128.17 142.9 51.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.823 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.18 119.45 6.88 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.66 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.81 4.37 51.77 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 120.95 -0.643 . . . . 0.0 113.178 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.04 130.19 39.34 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 117.138 0.469 . . . . 0.0 110.628 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 22.1 t -84.66 104.22 12.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.794 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . 0.594 HG22 ' CG1' ' B' ' 76' ' ' VAL . 21.6 t -81.84 137.76 20.66 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.272 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.67 -39.33 4.34 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.163 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 6.2 mtpp -137.71 157.61 46.1 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.881 0.372 . . . . 0.0 111.543 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 20.6 mt -143.31 123.04 8.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.501 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 52.95 36.54 22.15 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.457 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.77 35.89 44.22 Favored Glycine 0 C--N 1.335 0.5 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.731 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.7 132.4 17.89 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.517 0.199 . . . . 0.0 110.599 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.565 HG12 ' H ' ' B' ' 54' ' ' GLU . 24.0 t -76.33 136.28 25.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.808 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.405 ' HB ' HG13 ' B' ' 22' ' ' ILE . 0.1 OUTLIER -118.27 34.64 5.09 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.187 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . 0.565 ' H ' HG12 ' B' ' 52' ' ' VAL . 0.1 OUTLIER -95.55 142.74 27.52 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.188 179.201 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . 0.614 ' OD1' ' HB1' ' B' ' 19' ' ' ALA . 3.9 m-20 65.68 12.74 8.5 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.856 -179.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -101.52 175.13 5.67 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.731 0.3 . . . . 0.0 110.866 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 3.8 m -81.91 147.53 29.23 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.715 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.448 HD22 ' O ' ' A' ' 55' ' ' ASN . 14.5 tp -56.04 -29.77 60.94 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.837 179.632 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.66 -40.02 95.8 Favored 'General case' 0 CA--C 1.527 0.092 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.867 179.48 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -55.33 -47.2 76.02 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.454 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.54 -37.65 76.12 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.418 179.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' B' ' 63' ' ' THR . 0.0 OUTLIER -64.99 -36.99 86.19 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.424 179.201 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' THR . . . . . 0.406 ' N ' ' HG3' ' B' ' 62' ' ' LYS . 0.2 OUTLIER -63.96 -41.7 97.5 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 179.656 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.33 -34.06 66.2 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.73 0.3 . . . . 0.0 110.852 179.477 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . 0.54 ' HA ' HD11 ' B' ' 72' ' ' LEU . 17.1 mt -78.63 -29.02 14.49 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.727 179.14 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -77.99 -45.04 24.91 Favored 'General case' 0 CA--C 1.53 0.173 0 CA-C-O 120.77 0.319 . . . . 0.0 110.93 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.75 -17.4 64.59 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.053 -0.521 . . . . 0.0 112.303 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . 0.401 ' CB ' ' HG ' ' B' ' 72' ' ' LEU . 58.2 p -56.7 104.32 0.15 Allowed 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 121.007 0.432 . . . . 0.0 111.024 -179.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -65.83 -44.59 85.1 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.85 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -146.94 -64.59 0.01 OUTLIER Glycine 0 C--N 1.335 0.504 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.713 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -95.6 136.74 35.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.841 0.353 . . . . 0.0 110.995 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.714 HD12 ' CE2' ' A' ' 14' ' ' TYR . 0.4 OUTLIER -118.08 138.76 52.02 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.268 -179.729 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 6.0 mtpt -121.03 135.81 55.12 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.078 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 12.8 mtp -137.67 124.99 21.81 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 21.9 t -100.3 120.96 50.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.937 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.594 ' CG1' HG22 ' B' ' 45' ' ' VAL . 12.6 m -129.31 165.67 28.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 120.778 0.323 . . . . 0.0 111.418 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.233 0.222 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.103 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.2 ttmm . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.859 0.361 . . . . 0.0 111.314 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.702 HG13 ' CB ' ' B' ' 38' ' ' ASN . 41.3 t -117.59 133.2 65.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.923 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.4 m -129.35 117.24 20.31 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 120.823 0.344 . . . . 0.0 111.162 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 76.4 mt -115.49 155.74 26.96 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.757 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 38.9 t -126.46 102.69 10.19 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 CA-C-O 120.739 0.304 . . . . 0.0 111.074 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.459 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 1.1 ttmm . . . . . 0 N--CA 1.464 0.244 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.178 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.836 0.351 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.772 ' CE2' HD12 ' B' ' 72' ' ' LEU . 69.3 m-85 -60.2 -34.05 73.08 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.361 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.86 29.37 61.72 Favored Glycine 0 C--N 1.335 0.523 0 C-N-CA 121.068 -0.587 . . . . 0.0 113.027 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.755 HD23 ' HB3' ' A' ' 14' ' ' TYR . 3.1 pp -111.48 123.96 51.3 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.859 0.361 . . . . 0.0 110.857 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.546 ' O ' HG13 ' B' ' 24' ' ' VAL . 0.2 OUTLIER -85.05 145.47 27.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.486 179.847 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.587 HD21 ' CG2' ' B' ' 22' ' ' ILE . 0.1 OUTLIER -131.72 163.58 27.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.069 0.461 . . . . 0.0 111.711 -179.897 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.616 ' HB3' ' CZ ' ' B' ' 23' ' ' PHE . . . -158.76 177.41 11.21 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.183 -179.556 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.456 ' HB3' HD13 ' B' ' 58' ' ' LEU . 80.4 p -139.46 153.74 47.61 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 120.874 0.368 . . . . 0.0 111.516 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.435 ' HD2' ' CE1' ' B' ' 23' ' ' PHE . 0.2 OUTLIER -119.53 175.14 5.99 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.468 179.632 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.717 ' CG2' HD11 ' B' ' 18' ' ' LEU . 27.8 mm -129.08 137.66 56.56 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-O 120.73 0.3 . . . . 0.0 111.397 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.445 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 10.8 p90 -149.01 178.8 8.38 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.379 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.5 t -104.02 122.17 56.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.247 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.498 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 10.5 tptt -76.58 -35.39 58.19 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.27 179.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.446 ' O ' HD13 ' A' ' 27' ' ' ILE . 0.7 OUTLIER -172.68 175.46 3.43 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.916 0.389 . . . . 0.0 111.321 -179.775 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.58 HD11 ' C ' ' A' ' 40' ' ' GLN . 5.8 mm -123.3 131.71 72.69 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.495 179.179 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t -76.34 138.68 40.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.8 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.57 143.21 54.96 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 t0 59.19 37.67 23.8 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.6 p -110.58 177.2 4.76 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.931 0.396 . . . . 0.0 111.164 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.733 HD12 ' HA ' ' B' ' 14' ' ' TYR . 21.7 mt -63.86 -34.4 77.85 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.106 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.679 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -65.86 -34.25 77.72 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.773 -0.194 . . . . 0.0 111.198 179.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.43 -52.16 59.48 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.35 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.78 -35.18 72.45 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.097 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -61.56 -35.92 79.14 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.089 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.18 31.5 81.04 Favored Glycine 0 C--N 1.335 0.475 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.978 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.496 ' HB3' HG22 ' B' ' 3' ' ' VAL . 29.1 m-20 -123.55 -44.01 2.13 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.706 0.253 . . . . 0.0 111.299 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.94 HD11 HD21 ' B' ' 5' ' ' LEU . 2.6 mp -83.87 127.43 39.78 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.989 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.58 ' C ' HD11 ' A' ' 27' ' ' ILE . 1.7 mp0 -137.76 169.22 18.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.939 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -74.21 127.17 32.27 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.666 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.11 -20.93 39.24 Favored Glycine 0 CA--C 1.522 0.491 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.457 -179.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -54.02 138.18 37.92 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.683 0.278 . . . . 0.0 111.249 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.0 t -101.99 99.61 8.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.925 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.0 t -74.45 128.29 36.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.9 tp -103.29 -44.6 5.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.422 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.585 ' HG2' HG22 ' A' ' 52' ' ' VAL . 23.3 mttt -133.27 153.1 51.86 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.857 0.361 . . . . 0.0 111.81 -179.339 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.483 ' HB ' HD13 ' A' ' 64' ' ' LEU . 4.5 mp -139.35 123.33 19.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.409 179.134 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 57.61 30.54 18.95 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.13 -179.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 83.26 32.7 24.97 Favored Glycine 0 C--N 1.337 0.621 0 C-N-CA 120.981 -0.628 . . . . 0.0 113.217 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -148.36 129.44 14.51 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 117.084 0.442 . . . . 0.0 111.053 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.681 HG12 ' H ' ' A' ' 54' ' ' GLU . 20.8 t -74.49 138.78 20.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.694 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.453 ' HA ' ' HE3' ' A' ' 56' ' ' MET . 0.9 OUTLIER -112.33 24.3 12.7 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 179.836 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.681 ' H ' HG12 ' A' ' 52' ' ' VAL . 5.7 tt0 -82.6 144.08 30.57 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 179.043 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.7 m120 64.78 14.31 9.07 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.582 -179.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.453 ' HE3' ' HA ' ' A' ' 53' ' ' THR . 1.5 ttm -107.57 165.77 11.16 Favored 'General case' 0 CA--C 1.53 0.212 0 CA-C-O 120.796 0.331 . . . . 0.0 111.138 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 51.7 m -74.31 143.36 45.0 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.715 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.533 HD13 ' HB3' ' B' ' 20' ' ' SER . 25.2 tp -56.26 -32.65 64.71 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.029 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.07 -39.34 93.86 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.402 179.406 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -55.11 -44.59 75.12 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.006 179.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.91 -38.99 73.62 Favored 'General case' 0 CA--C 1.527 0.096 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.979 179.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.7 ' HA ' HD12 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -67.92 -35.98 79.38 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.642 179.432 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.2 m -62.67 -43.99 97.39 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.81 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.483 HD13 ' HB ' ' A' ' 48' ' ' ILE . 5.9 mt -56.39 -37.28 69.91 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.171 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.7 HD12 ' HA ' ' A' ' 62' ' ' LYS . 17.1 mt -69.84 -32.2 51.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.335 178.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -74.18 -43.38 57.49 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.731 0.301 . . . . 0.0 110.7 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -66.86 -18.66 65.49 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.919 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.454 ' OG ' ' HG ' ' A' ' 72' ' ' LEU . 63.0 m -57.92 110.7 0.97 Allowed 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.569 0.223 . . . . 0.0 110.924 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.36 -56.4 20.73 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.129 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -134.04 -79.63 0.13 Allowed Glycine 0 C--N 1.335 0.498 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.352 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.416 ' HG2' HG22 ' B' ' 6' ' ' VAL . 4.3 mtmt -79.22 145.52 33.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.739 0.304 . . . . 0.0 110.912 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.694 HD11 ' HA ' ' A' ' 65' ' ' ILE . 0.7 OUTLIER -123.27 118.53 27.78 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.885 179.872 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.451 ' HD3' HG23 ' B' ' 4' ' ' THR . 0.9 OUTLIER -94.76 135.61 36.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.492 179.775 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 11.3 mtp -140.69 123.63 16.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.838 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 26.3 t -98.06 123.7 50.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.658 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 24.1 t -120.04 152.5 22.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.888 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.675 0.274 . . . . 0.0 110.777 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 20.7 m . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 120.671 0.272 . . . . 0.0 111.288 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -110.89 124.67 52.52 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.883 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' VAL . . . . . 0.796 HG11 HG13 ' A' ' 39' ' ' ILE . 21.7 t -111.94 131.44 63.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.934 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . 0.451 HG23 ' HD3' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -128.95 115.13 17.36 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.774 0.321 . . . . 0.0 111.157 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.94 HD21 HD11 ' A' ' 39' ' ' ILE . 3.2 mm? -107.11 157.48 17.81 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.715 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . 0.416 HG22 ' HG2' ' A' ' 71' ' ' LYS . 12.1 t -129.92 100.1 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.137 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.982 179.597 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.533 ' HB2' ' CZ ' ' B' ' 14' ' ' TYR . 0.5 OUTLIER . . . . . 0 N--CA 1.463 0.201 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.994 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 . . . . . 0 C--O 1.234 0.244 0 CA-C-O 120.739 0.304 . . . . 0.0 110.714 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . 0.733 ' HA ' HD12 ' A' ' 32' ' ' LEU . 59.6 m-85 -58.67 -42.41 88.41 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.349 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.74 51.92 49.47 Favored Glycine 0 CA--C 1.522 0.485 0 C-N-CA 121.189 -0.529 . . . . 0.0 113.203 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.695 HD23 ' HB3' ' B' ' 14' ' ' TYR . 3.3 pp -125.66 124.68 41.67 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 120.774 0.321 . . . . 0.0 110.979 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.498 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -84.38 109.66 18.02 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.437 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.717 HD11 ' CG2' ' A' ' 22' ' ' ILE . 0.2 OUTLIER -97.0 142.97 28.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.751 -179.229 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.45 ' HB2' ' HB2' ' A' ' 25' ' ' LYS . . . -142.83 175.18 10.02 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.077 179.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . 0.533 ' HB3' HD13 ' A' ' 58' ' ' LEU . 99.4 p -143.37 151.31 40.28 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.089 0.471 . . . . 0.0 112.031 -179.508 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' HIS . . . . . 0.417 ' HD2' ' CE1' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -118.07 174.8 6.0 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.799 179.544 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.587 ' CG2' HD21 ' A' ' 18' ' ' LEU . 32.1 mm -130.44 138.71 53.14 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.333 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.616 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 12.4 p90 -149.2 174.78 12.0 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.348 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.546 HG13 ' O ' ' A' ' 17' ' ' ARG . 41.4 t -95.06 123.64 47.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.845 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.541 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 12.1 tptp -75.71 -40.74 55.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.746 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -175.88 176.23 1.85 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.817 0.342 . . . . 0.0 110.972 -179.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 3.7 mp -136.88 134.12 48.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.808 179.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 11.7 t -83.69 148.48 27.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -72.56 154.78 40.62 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.912 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 58.15 32.41 21.98 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.973 -179.443 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 60.9 m -112.57 166.58 11.2 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 14' ' ' TYR . 22.1 mt -57.18 -41.18 78.78 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.976 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.457 ' HB1' ' HB ' ' B' ' 39' ' ' ILE . . . -66.57 -44.63 81.74 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.982 179.321 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.32 -39.92 92.3 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.004 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.62 -41.45 60.38 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.707 179.342 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -62.1 -33.67 74.88 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.414 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.78 34.92 88.79 Favored Glycine 0 C--N 1.335 0.494 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.799 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.702 ' CB ' HG13 ' A' ' 3' ' ' VAL . 2.2 m-80 -116.12 -41.1 3.2 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 120.468 0.175 . . . . 0.0 111.419 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . 0.677 HD11 HG11 ' A' ' 3' ' ' VAL . 29.9 mm -86.82 125.45 40.84 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-O 120.71 0.291 . . . . 0.0 111.33 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -132.11 157.32 44.54 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -60.32 120.72 10.39 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.83 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.52 -14.13 46.82 Favored Glycine 0 CA--C 1.523 0.552 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.899 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -54.03 126.66 23.46 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.933 0.366 . . . . 0.0 111.125 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.9 t -99.44 106.17 18.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . 0.583 HG11 ' CD1' ' B' ' 48' ' ' ILE . 22.0 t -82.94 136.3 23.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-O 121.049 0.452 . . . . 0.0 111.462 -179.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.759 HD23 ' HG3' ' B' ' 47' ' ' LYS . 6.2 tt -109.65 -40.1 4.94 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.48 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . 0.759 ' HG3' HD23 ' B' ' 46' ' ' LEU . 24.7 mtpp -134.82 148.22 50.13 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -179.349 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.639 ' HB ' HD22 ' B' ' 64' ' ' LEU . 8.1 mm -123.52 119.0 56.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.628 179.213 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 20.1 p30 41.11 38.74 0.77 Allowed 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.136 0.574 . . . . 0.0 112.01 -179.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 87.21 37.77 8.13 Favored Glycine 0 C--N 1.336 0.582 0 C-N-CA 120.952 -0.642 . . . . 0.0 113.286 179.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.25 121.01 8.09 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.977 0.389 . . . . 0.0 110.616 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.677 HG12 ' H ' ' B' ' 54' ' ' GLU . 23.1 t -66.5 140.33 19.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.518 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.449 ' CG2' ' HB2' ' B' ' 61' ' ' ALA . 0.2 OUTLIER -121.04 24.33 10.2 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.726 -179.526 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' GLU . . . . . 0.677 ' H ' HG12 ' B' ' 52' ' ' VAL . 1.5 tt0 -97.9 148.1 23.78 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.822 0.344 . . . . 0.0 110.312 178.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . 0.44 ' O ' HD22 ' A' ' 58' ' ' LEU . 5.5 m-20 70.24 1.29 3.5 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.354 -179.66 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.19 168.23 9.2 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.744 0.307 . . . . 0.0 110.966 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 7.3 m -72.43 145.78 47.39 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.844 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.456 HD13 ' HB3' ' A' ' 20' ' ' SER . 39.0 tp -54.22 -30.21 49.22 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.943 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.22 -44.07 97.87 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.57 179.567 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -54.96 -45.43 74.94 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . 0.449 ' HB2' ' CG2' ' B' ' 53' ' ' THR . . . -62.28 -39.57 93.38 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.997 178.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . 0.442 ' HG3' ' N ' ' B' ' 63' ' ' THR . 0.0 OUTLIER -62.72 -31.89 72.89 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.478 179.058 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' THR . . . . . 0.442 ' N ' ' HG3' ' B' ' 62' ' ' LYS . 0.2 OUTLIER -71.64 -39.18 70.56 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.89 179.506 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.639 HD22 ' HB ' ' B' ' 48' ' ' ILE . 1.2 mt -54.98 -37.46 66.57 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.496 179.602 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 34.0 mt -69.86 -32.03 50.34 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.649 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.46 -45.47 59.38 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.665 0.269 . . . . 0.0 110.747 179.497 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.49 -25.95 66.45 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.364 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . 0.542 ' CB ' ' HG ' ' B' ' 72' ' ' LEU . 2.3 m -74.52 84.92 2.03 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.911 0.386 . . . . 0.0 110.607 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -72.56 -32.05 65.75 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.64 -179.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -114.89 -107.05 2.65 Favored Glycine 0 C--N 1.337 0.601 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.758 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.76 150.01 36.25 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 120.853 0.358 . . . . 0.0 111.358 -179.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.772 HD12 ' CE2' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -126.95 131.02 51.19 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.791 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 49.5 mttt -119.26 133.39 55.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.244 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 8.6 mtp -139.42 145.6 39.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.963 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 24.8 t -113.72 110.92 33.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.559 179.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 5.2 m -100.73 163.11 3.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.237 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.049 179.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.13 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.623 ' HB ' HG23 ' B' ' 76' ' ' VAL . 32.8 m . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 120.721 0.296 . . . . 0.0 111.315 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 42.7 mttm -112.96 131.01 55.92 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.836 HG13 ' HB3' ' B' ' 38' ' ' ASN . 19.4 t -107.04 113.93 44.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.247 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.508 ' C ' HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -116.94 123.2 46.4 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.221 179.877 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.721 HD21 HG12 ' A' ' 3' ' ' VAL . 3.0 mm? -121.63 160.27 24.74 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.781 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.459 ' O ' HD22 ' B' ' 32' ' ' LEU . 11.1 t -128.21 102.72 8.86 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.15 0 CA-C-O 120.855 0.359 . . . . 0.0 111.343 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.453 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 2.0 ttmt -89.73 53.51 2.59 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.282 0.563 . . . . 0.0 110.818 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.7 p -149.02 -43.92 0.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.301 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.5 mtp180 -51.32 -57.01 10.03 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.215 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.45 138.66 43.26 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.687 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -74.4 79.64 1.89 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.358 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -171.82 149.22 2.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.781 -179.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -72.3 175.02 6.49 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.916 0.389 . . . . 0.0 111.119 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.676 ' HB3' HD23 ' A' ' 16' ' ' LEU . 59.4 m-85 -65.58 -31.56 72.67 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.424 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.12 48.47 73.82 Favored Glycine 0 C--N 1.338 0.667 0 C-N-CA 121.117 -0.564 . . . . 0.0 112.741 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.676 HD23 ' HB3' ' A' ' 14' ' ' TYR . 3.2 pp -118.04 124.05 47.16 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.782 0.325 . . . . 0.0 110.976 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.493 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 1.1 mmt180 -75.42 111.93 11.21 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.445 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.795 HD11 HG23 ' B' ' 22' ' ' ILE . 0.6 OUTLIER -99.77 133.57 43.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.431 -179.396 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.64 ' N ' HD13 ' A' ' 18' ' ' LEU . . . -134.45 175.7 9.29 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.653 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.8 p -141.57 151.9 43.6 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.002 0.43 . . . . 0.0 111.826 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.411 ' HD2' ' CE1' ' B' ' 23' ' ' PHE . 0.2 OUTLIER -119.04 177.81 4.73 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.578 179.614 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.774 ' CG2' HD11 ' B' ' 18' ' ' LEU . 29.3 mm -132.47 140.77 46.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.814 0.34 . . . . 0.0 111.203 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.487 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 12.5 p90 -149.41 176.42 10.6 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.363 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.512 HG21 HG23 ' A' ' 39' ' ' ILE . 26.2 t -102.75 106.86 20.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.866 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.523 ' HB2' ' HB2' ' B' ' 19' ' ' ALA . 6.0 tptp -59.45 -35.71 74.57 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.304 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -175.11 175.21 2.31 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.94 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.752 HD12 ' HG3' ' A' ' 41' ' ' GLU . 2.4 mp -130.65 137.46 56.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.923 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.7 m -77.4 148.88 35.26 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.842 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.0 155.45 34.95 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.836 0.35 . . . . 0.0 111.25 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 54.05 34.61 20.24 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.179 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.2 p -109.41 173.12 6.47 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.911 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.414 ' HB2' ' HA ' ' B' ' 14' ' ' TYR . 12.0 mt -60.85 -37.03 80.69 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.795 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.437 ' CB ' HD13 ' A' ' 39' ' ' ILE . . . -62.66 -45.78 91.24 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.044 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.69 -39.25 90.78 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.183 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -74.23 -39.22 63.21 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.731 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -68.26 -35.03 77.26 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.348 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.31 44.81 92.95 Favored Glycine 0 C--N 1.336 0.532 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.585 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.61 ' CB ' HG13 ' B' ' 3' ' ' VAL . 2.5 m-80 -123.78 -46.39 1.99 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.481 0.182 . . . . 0.0 111.418 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.899 HD11 HD21 ' B' ' 5' ' ' LEU . 3.6 mp -83.5 124.24 39.45 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.138 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.521 ' C ' HD11 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -118.02 155.97 29.38 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.884 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.752 ' HG3' HD12 ' A' ' 27' ' ' ILE . 1.7 mp0 -61.33 110.8 1.52 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.725 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.49 4.95 43.12 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 121.002 -0.618 . . . . 0.0 113.106 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.77 131.99 47.1 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.916 0.358 . . . . 0.0 110.934 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 30.9 t -93.08 115.18 31.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.925 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.406 HG22 ' CG1' ' A' ' 76' ' ' VAL . 21.9 t -91.27 136.81 23.27 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.386 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.6 mp -112.14 -39.6 4.42 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.179 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -132.47 151.95 51.71 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.84 0.353 . . . . 0.0 111.341 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.417 HG23 ' HG3' ' A' ' 74' ' ' MET . 38.5 mt -140.43 124.0 17.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.608 179.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 57.99 31.84 21.16 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.267 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.69 32.79 40.1 Favored Glycine 0 C--N 1.337 0.607 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.736 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -144.02 137.86 27.96 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.714 0.257 . . . . 0.0 110.672 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.54 HG12 ' H ' ' A' ' 54' ' ' GLU . 17.9 t -62.93 145.74 13.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.719 HG22 HG13 ' A' ' 22' ' ' ILE . 1.4 m -128.52 34.86 4.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.331 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.54 ' H ' HG12 ' A' ' 52' ' ' VAL . 0.3 OUTLIER -103.74 144.0 32.05 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.709 0.29 . . . . 0.0 110.319 179.269 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 67.91 7.52 5.83 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.868 -179.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -93.29 159.83 15.09 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.757 0.313 . . . . 0.0 111.005 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.3 m -77.25 148.45 35.77 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.804 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.436 HD22 ' O ' ' B' ' 55' ' ' ASN . 32.7 tp -55.19 -30.23 59.5 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.964 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.71 -43.13 90.08 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.978 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.91 -41.01 86.24 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.829 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.33 -37.08 74.41 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.612 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.3 mmtt -65.11 -35.91 82.62 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.503 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.71 -43.79 92.31 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.446 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.12 -35.56 64.79 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.739 0.304 . . . . 0.0 110.491 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.633 ' HA ' HD11 ' A' ' 72' ' ' LEU . 22.7 mt -71.72 -32.47 45.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.698 179.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -75.88 -37.95 58.35 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.773 0.321 . . . . 0.0 110.846 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -59.87 -33.34 71.69 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.206 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.6 114.86 2.68 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.816 0.341 . . . . 0.0 111.538 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.78 -35.79 64.98 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.09 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -149.47 -67.51 0.01 OUTLIER Glycine 0 C--N 1.334 0.449 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.731 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.545 ' HG3' HG13 ' B' ' 6' ' ' VAL . 0.0 OUTLIER -87.5 128.52 35.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.594 0.235 . . . . 0.0 111.315 -179.705 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.741 HD12 ' CE2' ' B' ' 14' ' ' TYR . 0.6 OUTLIER -113.93 124.14 51.46 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.916 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.495 ' HG2' HG23 ' B' ' 4' ' ' THR . 22.6 mttm -102.22 138.84 38.63 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.83 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.417 ' HG3' HG23 ' A' ' 48' ' ' ILE . 9.0 mtp -146.5 119.66 8.87 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.839 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 22.3 t -98.61 111.26 27.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.692 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.406 ' CG1' HG22 ' A' ' 45' ' ' VAL . 10.3 m -106.71 170.23 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.437 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.24 146.44 28.44 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.379 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.31 -48.08 1.19 Allowed 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.127 179.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -74.06 125.42 28.27 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.228 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -142.43 25.99 1.82 Allowed 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.4 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.5 mt 65.69 151.61 0.05 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.059 0.457 . . . . 0.0 111.566 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.153 -0.927 . . . . 0.0 110.951 -179.829 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 8.6 m . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 120.743 0.306 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -99.02 124.97 44.39 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.004 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . 0.61 HG13 ' CB ' ' A' ' 38' ' ' ASN . 24.4 t -103.61 125.08 58.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.713 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.495 HG23 ' HG2' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -128.89 109.73 11.51 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.18 -179.883 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.899 HD21 HD11 ' A' ' 39' ' ' ILE . 3.2 mm? -100.0 158.33 15.9 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.651 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . 0.545 HG13 ' HG3' ' A' ' 71' ' ' LYS . 15.8 t -135.51 98.65 2.1 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 CA-C-O 120.962 0.41 . . . . 0.0 111.228 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.405 ' HA ' HD11 ' A' ' 32' ' ' LEU . 12.5 ttmt -81.2 124.4 29.25 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.594 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 1.3 m -139.67 -58.65 0.57 Allowed 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.42 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.411 ' HB2' ' HB2' ' B' ' 12' ' ' GLU . 0.0 OUTLIER -60.88 131.69 51.49 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.915 -179.793 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.37 -30.8 71.45 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.46 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -98.31 25.49 6.2 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.348 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . 0.411 ' HB2' ' HB2' ' B' ' 9' ' ' ARG . 48.6 mm-40 -139.83 107.29 5.56 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.589 0.233 . . . . 0.0 110.93 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -110.25 169.94 8.41 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.858 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . 0.768 ' HB3' HD23 ' B' ' 16' ' ' LEU . 49.1 m-85 -58.72 -42.77 89.48 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.025 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 51.4 53.86 26.46 Favored Glycine 0 C--N 1.337 0.602 0 C-N-CA 121.306 -0.473 . . . . 0.0 112.995 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.768 HD23 ' HB3' ' B' ' 14' ' ' TYR . 2.2 pp -119.21 117.94 29.98 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 120.845 0.355 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.475 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -71.7 114.96 10.33 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.544 179.893 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.774 HD11 ' CG2' ' A' ' 22' ' ' ILE . 0.3 OUTLIER -98.88 137.33 37.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.577 -179.372 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.558 ' N ' HD13 ' B' ' 18' ' ' LEU . . . -139.54 179.52 6.51 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.749 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 60.6 p -147.63 154.57 40.81 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.984 0.421 . . . . 0.0 111.753 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' HIS . . . . . 0.422 ' HD2' ' CE1' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -122.03 176.93 5.54 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.694 179.845 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.795 HG23 HD11 ' A' ' 18' ' ' LEU . 34.8 mm -131.22 138.3 53.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-O 120.828 0.347 . . . . 0.0 111.292 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.542 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 9.9 p90 -147.62 175.29 10.99 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.0 t -105.27 112.95 40.91 Favored 'Isoleucine or valine' 0 C--O 1.233 0.184 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.982 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.493 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 5.3 tptt -62.72 -38.78 91.82 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.107 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -174.57 174.13 2.76 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 2.9 mt -127.09 133.9 67.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.832 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 37.6 m -73.64 143.27 46.36 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -70.89 148.24 47.97 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.032 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 59.48 38.76 22.44 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.318 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.75 171.36 7.8 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.124 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.459 HD22 ' O ' ' A' ' 6' ' ' VAL . 45.3 mt -55.54 -44.59 76.89 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.212 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.9 -50.62 73.32 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.456 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.82 -36.6 83.73 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.107 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.32 -38.67 71.69 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.182 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.2 -34.29 59.28 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.47 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.84 43.73 65.2 Favored Glycine 0 C--N 1.334 0.438 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.911 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.836 ' HB3' HG13 ' A' ' 3' ' ' VAL . 5.5 m-80 -118.12 -44.15 2.71 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.628 0.214 . . . . 0.0 111.363 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . 0.799 HG12 HG11 ' A' ' 3' ' ' VAL . 28.2 mt -86.12 136.38 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.154 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -128.98 159.21 36.61 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -64.46 113.84 3.93 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.8 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.72 6.11 47.06 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 121.041 -0.6 . . . . 0.0 113.062 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.34 127.72 33.99 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 117.07 0.435 . . . . 0.0 110.783 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 31.7 t -90.56 101.94 12.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.184 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.691 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 25.9 t -80.6 132.67 31.15 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.454 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.6 HD23 ' HG3' ' B' ' 47' ' ' LYS . 8.4 tt -106.83 -42.88 4.82 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.892 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . 0.6 ' HG3' HD23 ' B' ' 46' ' ' LEU . 5.0 mtpm? -127.83 157.96 39.02 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.862 0.363 . . . . 0.0 111.79 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.523 HD12 HD13 ' B' ' 64' ' ' LEU . 22.2 mt -138.87 119.94 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.575 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . 0.521 HD22 HG22 ' B' ' 48' ' ' ILE . 14.2 p30 44.25 33.99 0.94 Allowed 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.967 -179.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 88.92 37.08 7.43 Favored Glycine 0 C--N 1.335 0.476 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.873 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -152.05 122.08 7.11 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.755 0.277 . . . . 0.0 110.814 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.4 HG22 ' HG3' ' B' ' 47' ' ' LYS . 40.0 t -71.05 139.24 20.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.786 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.466 HG21 HD12 ' B' ' 48' ' ' ILE . 0.6 OUTLIER -122.83 47.59 1.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.482 -179.879 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.66 142.31 35.62 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.824 0.345 . . . . 0.0 110.298 179.014 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . 0.436 ' O ' HD22 ' A' ' 58' ' ' LEU . 5.9 m-20 69.64 6.42 5.7 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.06 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 3.5 ttm -89.15 -172.22 3.57 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.723 0.297 . . . . 0.0 110.886 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 77.3 p -101.17 149.92 23.49 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.834 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.617 HD11 ' HA ' ' A' ' 19' ' ' ALA . 9.7 tp -56.4 -30.01 62.23 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.818 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -43.09 93.62 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.84 -41.16 86.26 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.754 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.57 -36.56 71.85 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.597 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -67.53 -34.89 78.01 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.627 179.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.27 -41.18 70.35 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.23 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.523 HD13 HD12 ' B' ' 48' ' ' ILE . 0.5 OUTLIER -55.17 -39.47 69.57 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.848 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 42.2 mt -68.8 -31.47 50.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.7 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -69.79 -41.14 75.48 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.746 0.308 . . . . 0.0 110.853 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -74.53 -25.25 59.2 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.597 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 1.2 m -73.92 73.16 1.62 Allowed 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.988 0.423 . . . . 0.0 110.547 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.05 83.99 7.38 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.839 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 140.29 -126.75 3.28 Favored Glycine 0 C--N 1.333 0.399 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.537 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -79.7 131.35 35.93 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.764 0.316 . . . . 0.0 111.154 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.648 HD12 ' CZ ' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -113.68 118.87 35.54 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.709 179.728 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 20.8 ttpp -117.62 105.95 12.59 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.984 0.421 . . . . 0.0 110.642 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -114.93 156.1 25.65 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.82 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 18.7 t -116.8 116.97 53.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.623 HG23 ' HB ' ' A' ' 1' ' ' THR . 6.6 m -101.92 150.84 5.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.404 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -101.76 117.73 35.48 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.736 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -138.56 160.8 38.67 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.746 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 19.3 p-10 -158.73 36.01 0.22 Allowed 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.045 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 54.81 32.23 17.19 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.354 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -121.47 112.43 18.52 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.392 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.007 -0.996 . . . . 0.0 111.208 -179.689 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.438 ' HB ' ' O ' ' B' ' 76' ' ' VAL . 6.8 p . . . . . 0 N--CA 1.493 1.679 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.68 135.63 54.37 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.839 0.352 . . . . 0.0 111.343 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.773 HG13 ' CB ' ' B' ' 38' ' ' ASN . 25.1 t -110.77 130.78 63.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.863 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.9 m -128.8 106.23 8.78 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 120.787 0.327 . . . . 0.0 111.011 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.845 HD11 HD11 ' B' ' 39' ' ' ILE . 32.5 mt -100.98 159.72 14.98 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.662 HG22 ' HG2' ' B' ' 71' ' ' LYS . 19.1 t -130.64 102.21 6.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.225 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.477 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 0.2 OUTLIER -84.59 146.33 27.58 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.869 0.366 . . . . 0.0 111.401 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.8 p -93.44 -16.7 24.27 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.993 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 56.84 29.27 15.81 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 120.651 0.262 . . . . 0.0 111.612 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.6 tptm -118.56 -63.44 1.41 Allowed 'General case' 0 CA--C 1.528 0.118 0 CA-C-O 120.663 0.268 . . . . 0.0 110.379 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -158.07 34.6 0.25 Allowed 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.203 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -146.07 118.16 8.3 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.786 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -103.73 171.32 7.42 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.726 ' HB3' HD23 ' A' ' 16' ' ' LEU . 56.2 m-85 -66.43 -26.96 67.47 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.541 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.54 41.81 82.38 Favored Glycine 0 C--N 1.337 0.616 0 C-N-CA 121.339 -0.457 . . . . 0.0 113.27 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.726 HD23 ' HB3' ' A' ' 14' ' ' TYR . 2.7 pp -113.71 121.89 45.46 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-O 120.839 0.352 . . . . 0.0 110.933 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.451 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -82.91 109.81 17.36 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.744 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.619 HD11 HG23 ' B' ' 22' ' ' ILE . 0.4 OUTLIER -99.93 131.62 45.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 -179.678 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.56 ' HB3' ' CZ ' ' B' ' 23' ' ' PHE . . . -129.1 171.39 12.44 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.767 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.6 p -133.73 150.05 51.49 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 120.968 0.413 . . . . 0.0 111.727 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -113.18 178.12 4.39 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.876 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.625 ' CG2' HD11 ' B' ' 18' ' ' LEU . 21.4 mm -131.7 136.37 57.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-O 120.807 0.337 . . . . 0.0 111.614 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.519 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 18.3 p90 -149.5 179.6 7.84 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.47 HG21 HG23 ' A' ' 39' ' ' ILE . 26.3 t -107.76 116.25 50.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.033 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.503 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 8.4 tptm -62.93 -44.25 96.58 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.426 ' HG3' ' HB2' ' B' ' 17' ' ' ARG . 0.0 OUTLIER -174.6 175.04 2.57 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.881 0.372 . . . . 0.0 111.084 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.543 HD12 ' HG3' ' A' ' 41' ' ' GLU . 3.2 mp -129.79 143.5 40.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.141 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.8 t -80.56 149.79 29.82 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.344 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -81.04 147.53 30.11 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 60.02 35.59 21.46 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.231 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.5 m -113.72 179.45 3.96 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.875 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.472 HD12 ' CD1' ' B' ' 14' ' ' TYR . 40.6 mt -58.61 -38.43 77.97 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.777 179.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.516 ' CB ' HD13 ' A' ' 39' ' ' ILE . . . -68.47 -38.74 81.35 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.17 -45.62 92.49 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.126 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.77 -41.5 75.08 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.941 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -64.94 -37.89 89.15 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.318 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.12 37.26 94.62 Favored Glycine 0 C--N 1.335 0.496 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.504 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.617 ' CB ' HG13 ' B' ' 3' ' ' VAL . 0.9 OUTLIER -109.01 -54.81 2.48 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-O 120.514 0.197 . . . . 0.0 111.079 -179.752 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.516 HD13 ' CB ' ' A' ' 33' ' ' ALA . 3.4 mp -69.2 130.25 34.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.932 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -125.7 150.67 47.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.543 ' HG3' HD12 ' A' ' 27' ' ' ILE . 8.3 mt-10 -62.93 116.14 5.02 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.4 -12.66 51.35 Favored Glycine 0 CA--C 1.523 0.572 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.985 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -55.92 137.66 50.09 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.991 0.395 . . . . 0.0 111.256 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.8 t -100.12 109.2 24.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.9 t -86.9 133.57 29.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.439 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -98.71 -41.14 7.82 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.189 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.407 ' CG ' HG22 ' A' ' 52' ' ' VAL . 14.8 mttt -133.55 155.8 48.95 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.017 0.437 . . . . 0.0 111.699 -179.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.1 mt -139.14 120.91 16.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.514 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 58.22 31.18 20.48 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.443 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.76 33.58 24.14 Favored Glycine 0 C--N 1.334 0.47 0 C-N-CA 120.83 -0.7 . . . . 0.0 113.252 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -153.0 131.72 12.35 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.865 0.332 . . . . 0.0 110.803 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.718 HG12 ' H ' ' A' ' 54' ' ' GLU . 18.0 t -73.73 139.9 18.61 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.407 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.468 ' HA ' ' HE3' ' A' ' 56' ' ' MET . 0.8 OUTLIER -114.48 19.67 15.98 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.718 ' H ' HG12 ' A' ' 52' ' ' VAL . 1.9 tt0 -76.34 140.04 41.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.005 0.431 . . . . 0.0 110.518 179.511 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.56 ' O ' HD22 ' B' ' 58' ' ' LEU . 7.2 m-20 63.4 17.87 10.62 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.812 -179.337 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.468 ' HE3' ' HA ' ' A' ' 53' ' ' THR . 1.7 ttm -104.94 160.06 15.32 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.784 0.326 . . . . 0.0 110.817 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.0 t -64.98 137.39 57.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.441 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.654 HD11 ' HA ' ' B' ' 19' ' ' ALA . 11.9 tp -54.48 -35.15 62.77 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.747 0.308 . . . . 0.0 110.748 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.24 -39.42 94.56 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.882 179.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -58.89 -45.6 89.87 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.779 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.66 -39.01 72.98 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.928 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -63.61 -38.83 92.62 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.76 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.88 -43.23 85.93 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.53 -37.63 68.19 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.787 0.327 . . . . 0.0 110.33 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.512 HG23 HD11 ' A' ' 72' ' ' LEU . 33.4 mt -75.83 -30.89 21.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.831 179.193 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -65.57 -48.54 72.04 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.784 0.326 . . . . 0.0 110.78 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.0 ttp-105 -65.65 -28.92 69.45 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.247 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.427 ' CB ' ' HG ' ' A' ' 72' ' ' LEU . 4.3 m -65.41 95.51 0.21 Allowed 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.72 0.295 . . . . 0.0 110.888 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -120.64 47.81 1.72 Allowed 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.921 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -178.37 -62.31 0.07 OUTLIER Glycine 0 C--N 1.334 0.424 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.882 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -138.21 123.24 19.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.629 0.252 . . . . 0.0 110.775 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.756 HD12 ' CE2' ' B' ' 14' ' ' TYR . 0.4 OUTLIER -108.93 137.12 47.36 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.026 -179.905 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -125.4 134.11 52.26 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.803 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -137.16 150.32 47.86 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.958 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.6 t -121.45 112.62 36.11 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.089 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.416 HG12 ' N ' ' A' ' 77' ' ' GLN . 17.4 t -101.54 159.32 4.11 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.416 ' N ' HG12 ' A' ' 76' ' ' VAL . 3.5 tp60 -93.12 141.38 28.47 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.72 0.295 . . . . 0.0 111.073 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.3 164.0 15.87 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.358 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 64.18 90.34 0.08 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.316 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -71.65 -39.95 70.01 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.199 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.0 pp -69.52 145.71 52.43 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.795 0.331 . . . . 0.0 110.838 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.495 -0.764 . . . . 0.0 111.058 -179.827 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 120.733 0.302 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.31 124.04 49.21 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.894 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . 0.617 HG13 ' CB ' ' A' ' 38' ' ' ASN . 22.3 t -103.52 127.49 57.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.107 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 1.7 m -128.53 105.81 8.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.869 0.366 . . . . 0.0 110.743 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.486 HD11 HD11 ' A' ' 39' ' ' ILE . 73.0 mt -100.36 157.62 16.48 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.779 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 10.5 t -128.58 105.91 13.74 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-O 120.886 0.374 . . . . 0.0 111.315 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 1.9 ttmm -84.71 145.83 27.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.896 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 2.0 m -127.69 172.99 10.29 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.779 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.93 88.97 5.29 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.392 -179.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.33 -177.75 1.3 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.031 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -90.97 74.9 6.39 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.919 0.39 . . . . 0.0 111.475 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -173.25 73.21 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.909 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -69.67 -178.11 1.4 Allowed 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.027 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . 0.756 ' CE2' HD12 ' A' ' 72' ' ' LEU . 25.5 m-85 -55.05 -37.45 66.72 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.253 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.76 46.36 93.54 Favored Glycine 0 C--N 1.337 0.601 0 C-N-CA 121.156 -0.545 . . . . 0.0 113.191 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.657 HD23 ' HB3' ' B' ' 14' ' ' TYR . 2.2 pp -117.2 119.78 36.25 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.849 0.357 . . . . 0.0 110.737 179.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.503 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -77.99 117.52 19.39 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.789 -179.761 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.625 HD11 ' CG2' ' A' ' 22' ' ' ILE . 0.2 OUTLIER -100.49 138.58 37.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.212 -179.564 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.654 ' HA ' HD11 ' A' ' 58' ' ' LEU . . . -140.13 179.09 6.83 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.399 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 57.7 p -143.76 157.99 43.99 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.922 0.392 . . . . 0.0 111.65 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' HIS . . . . . 0.479 ' O ' HD12 ' B' ' 22' ' ' ILE . 0.1 OUTLIER -118.92 178.24 4.56 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.722 179.899 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.619 HG23 HD11 ' A' ' 18' ' ' LEU . 1.0 OUTLIER -134.15 132.71 55.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.684 179.785 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 12.5 p90 -144.63 177.33 8.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.043 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -105.45 116.4 49.18 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.177 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.451 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 4.3 tptp -66.43 -44.88 81.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.966 179.539 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -176.95 174.26 1.75 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.896 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . 0.463 ' CG2' ' HB3' ' B' ' 33' ' ' ALA . 3.9 mp -125.07 135.5 63.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.74 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 39.2 t -83.89 148.45 26.94 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.251 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -69.72 156.59 38.75 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 58.98 36.64 24.53 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.924 -179.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 23.1 p -118.9 168.9 10.34 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.457 HD12 ' CD1' ' A' ' 14' ' ' TYR . 26.3 mt -62.53 -38.45 90.03 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.112 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.469 ' HB2' HD12 ' B' ' 39' ' ' ILE . . . -62.31 -41.13 98.27 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.61 0.243 . . . . 0.0 111.035 179.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.2 -42.78 96.5 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.107 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -71.02 -43.02 68.79 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.679 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -63.46 -37.22 86.46 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.312 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.1 30.42 77.71 Favored Glycine 0 C--N 1.335 0.508 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.816 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.773 ' CB ' HG13 ' A' ' 3' ' ' VAL . 10.7 m-80 -110.15 -33.21 6.73 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 111.578 0.214 . . . . 0.0 111.578 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . 0.845 HD11 HD11 ' A' ' 5' ' ' LEU . 26.4 mt -91.67 132.44 36.11 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-O 120.705 0.288 . . . . 0.0 111.133 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -130.97 162.68 29.21 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.024 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -67.71 124.33 22.97 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.819 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.19 -17.74 56.56 Favored Glycine 0 CA--C 1.521 0.424 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.917 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -54.21 120.3 6.3 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.936 0.368 . . . . 0.0 110.941 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 41.0 t -86.1 103.27 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.303 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . 0.443 HG11 HG12 ' B' ' 48' ' ' ILE . 19.9 t -71.56 108.81 3.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 CA-C-O 121.022 0.439 . . . . 0.0 111.331 -179.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.477 HD13 ' CG ' ' B' ' 77' ' ' GLN . 1.2 mp -74.43 -50.14 19.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.087 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 21.3 mttp -139.13 149.73 44.84 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.905 0.383 . . . . 0.0 111.241 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.556 HG23 ' HG3' ' B' ' 74' ' ' MET . 45.9 mt -131.56 122.7 50.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.529 179.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 57.74 35.13 25.25 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.837 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.95 33.71 44.92 Favored Glycine 0 C--N 1.337 0.601 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.988 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.63 131.05 19.76 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.737 0.268 . . . . 0.0 110.611 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.516 HG12 ' H ' ' B' ' 54' ' ' GLU . 17.4 t -61.71 139.4 20.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.162 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.612 ' O ' HD13 ' B' ' 22' ' ' ILE . 1.0 OUTLIER -115.09 36.29 3.96 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.092 179.81 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . 0.516 ' H ' HG12 ' B' ' 52' ' ' VAL . 1.2 tt0 -104.15 148.45 26.27 Favored 'General case' 0 N--CA 1.458 -0.049 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 178.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . 0.551 ' O ' HD22 ' A' ' 58' ' ' LEU . 6.4 p30 54.13 15.63 0.96 Allowed 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.15 -179.088 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -95.24 138.2 33.26 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.666 0.27 . . . . 0.0 110.432 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 4.6 m -56.73 146.64 25.2 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.978 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.56 HD22 ' O ' ' A' ' 55' ' ' ASN . 42.9 tp -53.87 -32.83 54.51 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.729 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.57 -38.8 84.59 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.608 179.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -57.51 -42.11 82.14 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.48 -39.51 76.59 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.935 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . 0.428 ' HA ' HD12 ' B' ' 65' ' ' ILE . 6.1 mttp -64.24 -39.51 94.11 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.486 179.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.85 -38.14 87.14 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.045 179.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.444 HD13 ' HB ' ' B' ' 48' ' ' ILE . 9.2 mt -55.73 -38.47 69.81 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.778 0.323 . . . . 0.0 110.296 179.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . 0.428 HD12 ' HA ' ' B' ' 62' ' ' LYS . 8.5 mt -74.58 -31.4 27.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.81 179.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -69.07 -52.19 31.05 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.01 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -58.83 -31.3 68.37 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.323 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . 0.408 ' CB ' ' HG ' ' B' ' 72' ' ' LEU . 2.0 m -60.45 116.15 4.1 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.213 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -60.93 -80.02 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.126 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -120.88 -67.25 0.27 Allowed Glycine 0 C--N 1.335 0.521 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.692 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . 0.662 ' HG2' HG22 ' A' ' 6' ' ' VAL . 33.5 mttt -77.73 129.3 35.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.702 0.287 . . . . 0.0 110.945 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.66 HD12 ' CZ ' ' A' ' 14' ' ' TYR . 0.6 OUTLIER -115.11 147.99 39.53 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.06 121.26 33.82 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.789 179.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.556 ' HG3' HG23 ' B' ' 48' ' ' ILE . 14.0 mtp -127.97 123.44 34.8 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.738 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 29.7 t -98.17 119.07 45.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.747 0.308 . . . . 0.0 111.113 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.438 ' O ' ' HB ' ' A' ' 1' ' ' THR . 28.0 m -112.77 170.19 4.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.479 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . 0.477 ' CG ' HD13 ' B' ' 46' ' ' LEU . 97.5 mm-40 -127.27 157.96 38.46 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.001 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 41.9 mtm180 65.94 -177.65 0.19 Allowed 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.289 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 56.91 79.31 0.19 Allowed 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.32 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -125.17 169.17 12.48 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.241 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -139.89 160.13 40.61 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.125 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.256 -0.878 . . . . 0.0 111.066 179.503 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.489 1.492 0 CA-C-O 120.569 0.223 . . . . 0.0 111.285 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.0 mttm -119.48 125.19 48.3 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.153 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.698 HG11 ' CG1' ' B' ' 39' ' ' ILE . 21.6 t -104.4 124.59 59.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.8 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.422 HG23 ' HG2' ' B' ' 73' ' ' LYS . 0.2 OUTLIER -128.23 108.51 10.66 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 120.846 0.355 . . . . 0.0 110.937 -179.779 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.673 ' CD2' HG12 ' A' ' 3' ' ' VAL . 3.5 mm? -103.45 160.41 14.74 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.794 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.3 t -128.77 99.69 5.09 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.977 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.46 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 1.5 ttmm -85.7 143.97 28.07 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.081 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.3 t -91.12 161.81 14.94 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -98.25 32.78 2.36 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.041 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.63 -72.94 0.7 Allowed 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.348 179.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -172.6 39.33 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -110.4 129.5 55.75 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.068 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -108.38 155.34 20.66 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.747 ' CE2' HD12 ' B' ' 72' ' ' LEU . 76.0 m-85 -61.1 -38.16 85.34 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.363 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.36 41.1 53.52 Favored Glycine 0 C--N 1.336 0.564 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.817 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.848 HD22 HD13 ' B' ' 39' ' ' ILE . 2.4 pp -127.09 126.26 42.69 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.788 0.327 . . . . 0.0 110.911 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.426 ' CB ' ' HB3' ' B' ' 25' ' ' LYS . 1.6 mtt180 -83.03 117.09 22.58 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.457 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.726 HD11 ' CG2' ' B' ' 22' ' ' ILE . 0.3 OUTLIER -97.28 132.85 42.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.083 -179.695 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.547 ' HB3' ' CZ ' ' B' ' 23' ' ' PHE . . . -139.2 166.78 23.64 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.16 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 87.8 p -118.6 149.76 40.82 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.844 0.354 . . . . 0.0 111.226 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -115.62 174.92 5.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 34.6 mm -129.65 136.89 58.13 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.942 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.767 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 13.4 p90 -144.14 173.12 12.01 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.3 t -98.09 114.58 35.91 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.831 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.645 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 4.5 tttm -66.92 -38.97 87.2 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.511 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -179.56 178.54 0.66 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.919 0.39 . . . . 0.0 111.196 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.428 HG23 ' HB3' ' A' ' 33' ' ' ALA . 3.1 mp -128.73 144.38 38.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.983 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.4 t -84.58 158.51 20.88 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.902 0.382 . . . . 0.0 111.039 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -84.66 143.56 29.14 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.248 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 59.94 33.71 21.5 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.572 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.1 m -112.05 175.52 5.4 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.581 -0.282 . . . . 0.0 111.069 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' B' ' 14' ' ' TYR . 72.0 mt -55.26 -45.42 76.1 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.958 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.428 ' HB3' HG23 ' A' ' 27' ' ' ILE . . . -61.51 -45.0 96.04 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.216 179.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.3 -40.51 96.07 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.82 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -70.83 -43.18 69.11 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.745 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.422 ' CG ' HD23 ' B' ' 5' ' ' LEU . 0.5 OUTLIER -65.07 -40.86 95.27 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.187 179.717 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.53 32.72 82.47 Favored Glycine 0 C--N 1.334 0.464 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.541 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.646 ' HB3' HG13 ' B' ' 3' ' ' VAL . 2.7 m-80 -109.6 -32.38 7.13 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 111.478 0.177 . . . . 0.0 111.478 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.764 HG13 HG11 ' B' ' 3' ' ' VAL . 2.0 mt -93.1 134.89 29.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.315 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -123.5 139.56 53.89 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.602 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.421 ' N ' HD11 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -60.06 128.54 37.31 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.768 0.318 . . . . 0.0 110.712 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.44 -21.16 42.04 Favored Glycine 0 CA--C 1.521 0.439 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.714 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -56.41 148.88 17.99 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.829 0.347 . . . . 0.0 111.279 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.8 t -106.52 117.73 52.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.841 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.494 HG22 ' CG1' ' A' ' 76' ' ' VAL . 21.9 t -95.02 119.93 43.75 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.246 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.414 ' O ' HD23 ' A' ' 46' ' ' LEU . 2.8 tt -88.99 -45.33 9.74 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.99 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -124.14 151.77 43.57 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.992 0.425 . . . . 0.0 111.455 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 36.3 mt -139.59 121.57 16.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.509 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 59.51 35.44 22.76 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.392 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.3 28.89 63.05 Favored Glycine 0 C--N 1.336 0.573 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.821 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.71 145.98 37.2 Favored 'General case' 0 C--O 1.23 0.071 0 CA-C-N 116.673 0.237 . . . . 0.0 110.633 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.68 HG12 ' H ' ' A' ' 54' ' ' GLU . 21.7 t -77.4 138.16 20.98 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.616 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.68 19.83 14.33 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.674 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.68 ' H ' HG12 ' A' ' 52' ' ' VAL . 0.3 OUTLIER -82.15 150.52 27.39 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.298 179.098 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.6 p30 51.83 18.88 0.84 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.375 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.8 tpp -96.43 170.98 8.85 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.755 0.312 . . . . 0.0 110.78 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.0 m -80.0 143.46 34.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.739 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.762 HD13 ' HA ' ' B' ' 55' ' ' ASN . 0.7 OUTLIER -56.07 -34.71 66.22 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.697 179.614 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.78 -38.56 73.41 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.558 179.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -56.85 -45.2 82.56 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.77 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.63 -38.53 75.14 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.9 -36.36 84.12 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.522 179.182 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.15 -41.54 97.13 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.0 mt -54.17 -36.18 63.1 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.287 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.2 mt -66.79 -34.34 69.38 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.823 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -77.03 -45.59 26.69 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.64 0.257 . . . . 0.0 111.012 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.9 ttp85 -66.27 -14.8 62.55 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.834 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 70.2 m -51.94 114.18 1.22 Allowed 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.84 0.352 . . . . 0.0 111.206 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.25 78.47 0.98 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.497 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 76.8 -93.56 1.05 Allowed Glycine 0 C--N 1.334 0.418 0 C-N-CA 121.14 -0.552 . . . . 0.0 112.184 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.18 141.94 49.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.828 0.346 . . . . 0.0 111.468 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.668 HD12 ' CE2' ' B' ' 14' ' ' TYR . 0.6 OUTLIER -112.27 146.02 38.93 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.852 179.892 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -127.17 123.65 37.2 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.504 179.325 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 41.8 mtm -130.53 131.33 45.02 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.856 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.1 t -108.14 112.99 42.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.976 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.494 ' CG1' HG22 ' A' ' 45' ' ' VAL . 19.9 m -110.81 175.6 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.793 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -99.69 135.82 40.54 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.012 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.76 149.82 0.08 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.299 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -138.72 107.4 5.91 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.328 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -123.47 86.43 2.57 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.488 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -79.32 136.4 37.0 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.883 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.092 -0.956 . . . . 0.0 111.223 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.494 1.756 0 CA-C-O 120.747 0.308 . . . . 0.0 111.426 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.08 136.23 52.68 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.759 0.314 . . . . 0.0 110.862 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . 0.764 HG11 HG13 ' A' ' 39' ' ' ILE . 44.0 t -106.2 129.92 58.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.065 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.28 105.81 8.8 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.561 179.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.748 HD11 HD11 ' A' ' 39' ' ' ILE . 86.4 mt -98.4 160.74 14.08 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.85 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 21.9 t -124.44 101.68 9.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.06 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.549 ' HB2' ' CZ ' ' B' ' 14' ' ' TYR . 0.2 OUTLIER -87.44 131.8 34.2 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.072 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 4.3 p -176.79 -177.86 0.82 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.79 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -86.57 54.78 3.28 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 121.009 0.433 . . . . 0.0 110.517 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -102.43 -53.8 2.81 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.727 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -130.17 -56.26 1.1 Allowed 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.798 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -179.71 -169.79 0.14 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.975 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -66.97 -178.38 0.75 Allowed 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.952 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . 0.668 ' CE2' HD12 ' A' ' 72' ' ' LEU . 65.1 m-85 -59.21 -36.67 75.8 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.198 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.42 49.61 71.68 Favored Glycine 0 C--N 1.338 0.645 0 C-N-CA 121.235 -0.507 . . . . 0.0 112.885 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.625 HD13 HD13 ' B' ' 18' ' ' LEU . 2.7 pp -128.28 132.41 48.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.822 0.344 . . . . 0.0 111.162 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.645 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -88.84 127.76 35.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.344 179.481 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.625 HD13 HD13 ' B' ' 16' ' ' LEU . 0.6 OUTLIER -124.73 150.55 46.08 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.062 0.458 . . . . 0.0 111.469 -179.813 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.767 ' HB3' ' CZ ' ' A' ' 23' ' ' PHE . . . -145.7 178.45 8.14 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.956 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.616 ' HB3' HD12 ' A' ' 58' ' ' LEU . 53.7 p -129.47 153.62 47.78 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.031 0.443 . . . . 0.0 111.708 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -123.48 -177.18 3.64 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.469 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.726 ' CG2' HD11 ' A' ' 18' ' ' LEU . 33.4 mm -128.33 140.63 48.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.107 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.547 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 4.9 p90 -149.43 179.21 8.13 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.052 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 19.3 t -108.62 117.51 54.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.101 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.426 ' HB3' ' CB ' ' A' ' 17' ' ' ARG . 5.7 tptt -60.48 -50.65 72.72 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.08 179.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -176.54 159.46 1.9 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.937 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . 0.753 HG21 ' HB3' ' B' ' 33' ' ' ALA . 3.6 mp -115.71 138.13 47.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.96 179.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 31.0 m -75.38 146.04 41.15 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -69.01 147.91 50.89 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.07 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 t70 59.98 41.45 17.51 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.028 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 23.6 p -114.02 176.62 4.96 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.623 HD12 ' HA ' ' A' ' 14' ' ' TYR . 13.3 mt -58.46 -37.6 75.79 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 179.56 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.753 ' HB3' HG21 ' B' ' 27' ' ' ILE . . . -69.23 -41.9 76.39 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.251 179.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.02 -38.78 76.85 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.091 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -78.7 -35.16 45.41 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.823 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -68.08 -43.52 78.35 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.303 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.29 38.37 53.66 Favored Glycine 0 C--N 1.334 0.45 0 C-N-CA 120.955 -0.641 . . . . 0.0 112.484 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.68 ' CB ' HG13 ' A' ' 3' ' ' VAL . 6.8 m-80 -122.82 -45.91 2.13 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.505 0.193 . . . . 0.0 111.339 -179.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . 0.848 HD13 HD22 ' A' ' 16' ' ' LEU . 19.0 mt -80.92 130.66 35.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.106 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -137.02 162.2 33.97 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.117 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -69.17 128.7 37.57 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.667 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 96.08 -20.44 50.05 Favored Glycine 0 CA--C 1.523 0.536 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.808 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -54.57 117.96 3.78 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.913 0.356 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.0 t -87.31 112.24 22.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.059 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . 0.437 HG11 HG12 ' B' ' 48' ' ' ILE . 20.3 t -86.41 114.97 26.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.164 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.46 -39.72 17.2 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.157 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 11.4 mtmt -131.27 153.69 49.28 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.182 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.494 ' HB ' HD13 ' B' ' 64' ' ' LEU . 30.2 mt -142.25 123.43 12.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.533 179.459 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 58.84 33.24 22.93 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.358 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.12 30.59 58.78 Favored Glycine 0 C--N 1.336 0.566 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.514 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 6.4 m -142.55 137.38 30.1 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.55 0.214 . . . . 0.0 110.609 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.487 HG12 ' H ' ' B' ' 54' ' ' GLU . 30.4 t -68.92 143.13 15.36 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.754 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.46 37.87 4.31 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.557 -179.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . 0.487 ' H ' HG12 ' B' ' 52' ' ' VAL . 0.1 OUTLIER -105.28 141.93 35.94 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.629 -0.26 . . . . 0.0 110.416 179.402 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . 0.762 ' HA ' HD13 ' A' ' 58' ' ' LEU . 0.5 OUTLIER 69.48 6.02 5.47 Favored 'General case' 0 CA--C 1.537 0.442 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.228 -179.841 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -95.21 161.38 14.13 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.966 0.412 . . . . 0.0 111.11 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 2.4 p -72.22 145.93 47.65 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.713 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 18.8 tp -55.92 -30.08 61.09 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.168 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.7 -38.86 92.69 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.738 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -59.99 -39.86 87.15 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.855 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.23 -39.36 82.48 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.546 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 15.1 mtmt -62.72 -36.62 83.59 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.291 179.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.84 -37.87 85.3 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.993 179.459 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.494 HD13 ' HB ' ' B' ' 48' ' ' ILE . 2.3 mt -55.13 -35.05 64.27 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.81 0.338 . . . . 0.0 110.761 179.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . 0.412 HG23 HD11 ' B' ' 72' ' ' LEU . 24.5 mt -75.9 -32.23 23.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.875 179.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -76.07 -48.3 21.32 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.223 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' ARG . . . . . 0.409 ' HG2' ' HA ' ' B' ' 64' ' ' LEU . 14.6 ptm180 -57.38 -24.55 56.07 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.477 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 11.7 t -50.8 110.94 0.47 Allowed 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.276 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.41 61.06 4.72 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.112 0.482 . . . . 0.0 110.502 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 104.4 -79.54 0.3 Allowed Glycine 0 C--N 1.335 0.505 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.679 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -84.82 133.05 34.34 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.764 0.316 . . . . 0.0 111.456 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.747 HD12 ' CE2' ' A' ' 14' ' ' TYR . 0.4 OUTLIER -108.08 141.91 39.06 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.673 179.514 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . 0.422 ' HG2' HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER -122.93 123.18 40.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.583 179.373 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 4.7 mtp -129.1 125.46 37.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.685 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 15.5 t -98.2 122.21 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.456 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.412 HG12 ' N ' ' B' ' 77' ' ' GLN . 14.3 t -100.25 159.29 3.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.555 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . 0.412 ' N ' HG12 ' B' ' 76' ' ' VAL . 13.7 tt0 -92.77 117.24 29.79 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.794 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.37 160.02 14.73 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.416 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -120.53 107.61 13.07 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.666 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 59.54 76.74 0.34 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.185 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 9.0 tp -163.28 134.65 4.86 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.182 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 . . . . . 0 C--O 1.251 1.158 0 CA-C-O 118.534 -0.746 . . . . 0.0 111.089 179.49 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.5 p . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 120.546 0.212 . . . . 0.0 111.548 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.86 126.45 31.03 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.086 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.764 HG22 ' HB3' ' B' ' 38' ' ' ASN . 15.6 t -115.4 128.35 72.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.99 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.3 m -128.82 113.98 15.97 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 120.766 0.317 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.695 HD21 HD11 ' B' ' 39' ' ' ILE . 2.7 mm? -110.89 158.36 18.82 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.97 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.579 HG22 ' HD2' ' B' ' 71' ' ' LYS . 20.8 t -135.3 101.06 2.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.993 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.525 ' HG3' ' HA2' ' B' ' 70' ' ' GLY . 2.2 ptpt -73.98 138.16 43.97 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.081 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.5 t -86.01 169.48 13.17 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.136 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -83.78 69.8 10.26 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.066 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.404 ' HD2' ' HB2' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -174.84 -169.02 0.39 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.748 179.908 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -77.32 64.58 2.73 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.053 0.454 . . . . 0.0 110.593 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.404 ' HB2' ' HD2' ' A' ' 10' ' ' LYS . 1.4 tp10 -145.85 85.38 1.69 Allowed 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.722 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -89.17 179.05 6.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.304 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.911 ' CE2' HD12 ' B' ' 72' ' ' LEU . 14.5 m-85 -66.96 -30.08 70.11 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.93 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.84 47.41 89.01 Favored Glycine 0 C--N 1.335 0.501 0 C-N-CA 121.297 -0.478 . . . . 0.0 113.125 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.584 HD23 ' HB3' ' A' ' 14' ' ' TYR . 1.9 pp -116.56 120.57 39.14 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.925 0.393 . . . . 0.0 111.058 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.539 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -72.79 122.42 21.52 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.827 -179.899 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.47 HD23 ' CD1' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -102.14 140.05 36.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.449 -179.639 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.503 ' HB3' ' CZ ' ' B' ' 23' ' ' PHE . . . -146.37 172.17 13.91 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.154 179.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 90.5 p -139.3 152.7 47.44 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.991 0.424 . . . . 0.0 111.944 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.451 ' HD2' ' CE1' ' B' ' 23' ' ' PHE . 0.2 OUTLIER -123.75 -179.29 4.32 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.751 179.9 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.617 HG13 HG22 ' A' ' 53' ' ' THR . 27.3 mm -131.63 142.54 42.9 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.098 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.47 ' CE1' ' HD2' ' B' ' 21' ' ' HIS . 11.6 p90 -149.02 179.44 7.88 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.18 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.557 HG21 HG23 ' A' ' 39' ' ' ILE . 25.6 t -103.02 112.84 37.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.027 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.55 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 9.8 tptt -58.35 -41.93 85.77 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.096 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -176.49 171.62 2.33 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.792 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 mp -126.58 141.51 45.79 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-O 120.786 0.327 . . . . 0.0 111.036 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.3 t -83.48 147.6 27.73 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.109 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.64 147.0 44.16 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.596 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.8 t0 58.85 49.35 9.98 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.585 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.92 169.27 14.15 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.959 -179.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.457 ' HB2' ' HA ' ' B' ' 14' ' ' TYR . 26.8 mt -55.39 -43.25 75.02 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.173 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.609 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -61.01 -48.1 83.38 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.132 179.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.97 -36.99 86.19 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.14 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -37.5 68.12 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.036 179.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.402 ' CG ' HD13 ' B' ' 5' ' ' LEU . 0.5 OUTLIER -73.26 -33.76 65.44 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.537 -179.774 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.1 41.0 61.21 Favored Glycine 0 C--N 1.333 0.407 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.723 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.714 ' HB3' HG13 ' B' ' 3' ' ' VAL . 14.8 m-80 -122.55 -47.2 2.11 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.505 0.193 . . . . 0.0 111.166 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.842 ' CD1' HG11 ' B' ' 3' ' ' VAL . 30.9 mm -77.05 118.78 24.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.01 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.6 tp60 -117.37 154.31 31.53 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.646 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.18 109.13 0.7 Allowed 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.649 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.92 5.67 50.17 Favored Glycine 0 CA--C 1.525 0.675 0 C-N-CA 120.843 -0.694 . . . . 0.0 113.125 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.8 105.47 0.38 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.943 0.371 . . . . 0.0 110.838 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.2 t -74.7 105.4 3.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.679 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.518 HG22 ' CG1' ' A' ' 76' ' ' VAL . 22.0 t -86.42 128.12 39.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.448 -179.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.8 tt -98.77 -38.76 8.94 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.116 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -134.55 152.81 52.04 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.852 0.358 . . . . 0.0 111.561 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.594 ' HB ' HD13 ' A' ' 64' ' ' LEU . 32.1 mt -139.37 115.34 9.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.679 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 49.3 m-20 55.56 39.06 30.96 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.243 -179.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.68 25.86 64.17 Favored Glycine 0 CA--C 1.523 0.589 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.911 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -131.6 127.97 38.2 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.776 0.288 . . . . 0.0 110.437 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 13.8 t -63.74 141.3 18.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.939 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.617 HG22 HG13 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -124.0 40.35 3.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.101 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -112.95 140.88 47.38 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.68 0.276 . . . . 0.0 110.28 179.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.401 ' HB3' HD22 ' B' ' 58' ' ' LEU . 11.9 m-20 63.52 13.05 6.9 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.896 -179.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.9 tpp -97.61 164.14 12.55 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.788 0.327 . . . . 0.0 110.989 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.1 m -73.27 142.2 47.21 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.865 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.627 HD11 ' HA ' ' B' ' 19' ' ' ALA . 12.5 tp -54.28 -33.81 59.48 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.151 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.28 -37.13 84.71 Favored 'General case' 0 CA--C 1.527 0.077 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.882 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -55.11 -41.94 72.3 Favored 'General case' 0 C--O 1.232 0.184 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.0 -38.23 90.37 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.37 178.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 63' ' ' THR . 0.0 OUTLIER -63.61 -33.03 74.71 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.505 179.217 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.472 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 0.3 OUTLIER -71.01 -40.07 72.01 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.967 179.774 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.594 HD13 ' HB ' ' A' ' 48' ' ' ILE . 12.7 mt -54.25 -38.0 65.31 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.926 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.444 ' HA ' HD11 ' A' ' 72' ' ' LEU . 34.0 mt -70.62 -31.79 47.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.063 179.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -76.37 -50.67 13.6 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.002 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -67.01 -18.24 65.28 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.0 t -52.73 113.77 1.19 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.726 0.298 . . . . 0.0 111.28 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -88.64 83.16 6.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.598 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.44 ' O ' ' HB3' ' B' ' 7' ' ' LYS . . . 91.64 -120.95 6.18 Favored Glycine 0 C--N 1.334 0.428 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.788 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.39 145.5 53.83 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 120.722 0.296 . . . . 0.0 111.545 -179.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.504 HD12 ' CZ ' ' B' ' 14' ' ' TYR . 0.4 OUTLIER -122.14 132.24 54.37 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.218 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.44 130.74 55.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.559 179.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 10.1 mtp -139.61 129.68 25.07 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.773 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.5 t -99.22 111.27 28.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.963 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.518 ' CG1' HG22 ' A' ' 45' ' ' VAL . 30.8 m -113.85 172.56 3.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.195 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.97 103.7 12.79 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.77 179.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.441 ' H ' HG22 ' B' ' 1' ' ' THR . 0.0 OUTLIER -111.22 26.57 10.55 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.928 179.696 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.92 36.6 4.19 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.718 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 57.84 32.39 21.85 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.224 -179.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.2 87.56 7.35 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.928 0.394 . . . . 0.0 110.52 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.825 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' THR . . . . . 0.441 HG22 ' H ' ' A' ' 78' ' ' ARG . 19.7 p . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -128.55 137.28 51.66 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.695 0.283 . . . . 0.0 111.025 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . 0.842 HG11 ' CD1' ' A' ' 39' ' ' ILE . 33.2 t -115.14 123.33 70.67 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.131 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 7.1 m -128.58 106.58 9.06 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 120.837 0.351 . . . . 0.0 111.155 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.636 ' CD2' HG12 ' B' ' 3' ' ' VAL . 3.8 mm? -98.36 160.47 14.26 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.773 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 18.4 t -125.72 99.42 5.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-O 120.83 0.348 . . . . 0.0 111.171 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.44 ' HB3' ' O ' ' A' ' 70' ' ' GLY . 17.5 ttmt -85.7 100.48 12.03 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.841 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.75 124.74 33.91 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.926 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 9.8 mtm180 64.36 -175.04 0.17 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.45 24.28 7.53 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.037 179.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -120.03 -38.06 3.0 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.397 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -74.0 85.09 1.78 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.839 0.352 . . . . 0.0 111.015 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -76.61 161.65 28.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . 0.66 ' HB3' HD23 ' B' ' 16' ' ' LEU . 72.5 m-85 -74.3 -38.85 63.24 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.555 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.62 27.56 72.31 Favored Glycine 0 CA--C 1.522 0.483 0 C-N-CA 120.935 -0.65 . . . . 0.0 113.142 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.66 HD23 ' HB3' ' B' ' 14' ' ' TYR . 3.0 pp -110.2 120.5 42.64 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.956 0.378 . . . . 0.0 110.601 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.55 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 16.1 ttt-85 -77.82 123.32 26.58 Favored 'General case' 0 N--CA 1.461 0.102 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.079 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.7 143.31 27.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.363 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.627 ' HA ' HD11 ' A' ' 58' ' ' LEU . . . -148.24 175.05 11.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.818 179.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 87.5 p -142.71 153.95 43.84 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.057 0.456 . . . . 0.0 111.902 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' HIS . . . . . 0.47 ' HD2' ' CE1' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -125.5 176.27 6.95 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.646 179.891 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.416 HG13 ' HB ' ' B' ' 53' ' ' THR . 44.7 mm -129.08 139.17 52.56 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.071 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.503 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 10.2 p90 -144.61 178.42 7.98 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 120.895 0.379 . . . . 0.0 111.327 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 17.6 t -105.66 112.78 40.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.021 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.539 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 18.4 tptp -59.67 -39.4 84.35 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.17 179.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -177.8 173.93 1.52 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.929 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . 0.467 HG21 ' HB3' ' B' ' 33' ' ' ALA . 3.4 mp -129.71 137.76 55.9 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.882 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 6.2 t -73.22 149.36 42.91 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.244 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 6.0 pm0 -74.87 148.91 39.77 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.049 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 58.07 31.03 20.16 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.393 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 12.0 p -101.46 177.67 4.86 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 120.749 0.309 . . . . 0.0 111.013 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.478 HD11 ' HA ' ' A' ' 7' ' ' LYS . 48.8 mt -59.49 -37.51 78.46 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.621 179.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.467 ' HB3' HG21 ' B' ' 27' ' ' ILE . . . -69.57 -35.97 75.87 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.992 179.135 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.32 -47.53 85.06 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.05 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 3.2 mmt180 -70.35 -36.43 74.19 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.586 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -67.89 -38.8 83.47 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.169 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.72 36.3 93.1 Favored Glycine 0 C--N 1.335 0.5 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.897 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.764 ' HB3' HG22 ' A' ' 3' ' ' VAL . 30.7 m-20 -113.63 -37.79 4.49 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -179.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . 0.715 HG13 HG11 ' A' ' 3' ' ' VAL . 3.1 mt -91.91 134.4 30.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-O 120.684 0.278 . . . . 0.0 111.392 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -129.93 148.2 51.77 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.16 121.82 11.63 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.803 0.335 . . . . 0.0 111.001 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.52 -20.08 37.9 Favored Glycine 0 CA--C 1.522 0.503 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.779 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -55.66 135.69 51.08 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.767 0.318 . . . . 0.0 111.162 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 20.4 t -96.63 123.12 48.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.138 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 21.3 t -90.48 140.21 16.31 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.243 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.567 HD11 ' N ' ' B' ' 77' ' ' GLN . 1.1 mp -109.67 -40.09 4.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -139.01 149.03 44.2 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.786 0.327 . . . . 0.0 111.285 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.653 HD12 HG21 ' B' ' 53' ' ' THR . 29.3 mt -137.33 122.48 25.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.467 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 58.33 35.06 24.58 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.177 -179.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.95 28.96 59.71 Favored Glycine 0 C--N 1.335 0.504 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.774 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -141.15 130.77 24.04 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.667 0.233 . . . . 0.0 110.609 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.634 HG12 ' H ' ' B' ' 54' ' ' GLU . 15.8 t -67.61 140.41 19.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.629 179.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.653 HG21 HD12 ' B' ' 48' ' ' ILE . 0.0 OUTLIER -118.44 26.76 9.37 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.426 179.845 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . 0.634 ' H ' HG12 ' B' ' 52' ' ' VAL . 0.2 OUTLIER -88.03 151.16 22.96 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 120.739 0.304 . . . . 0.0 110.43 179.204 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 7.0 p30 51.84 16.18 0.47 Allowed 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.557 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 1.6 ttm -99.03 162.11 13.25 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.778 0.323 . . . . 0.0 110.724 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 30.9 t -71.94 145.83 48.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.632 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.401 HD22 ' HB3' ' A' ' 55' ' ' ASN . 46.9 tp -56.93 -31.95 65.47 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.907 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.1 -38.47 89.02 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.584 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -58.44 -44.74 89.29 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.706 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.16 -38.73 71.28 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.727 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -65.09 -41.33 95.07 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.541 179.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.13 -41.55 96.93 Favored 'General case' 0 C--N 1.334 -0.085 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.17 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.89 -39.75 66.03 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.747 0.308 . . . . 0.0 110.652 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 36.7 mt -76.58 -32.37 21.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -73.97 -38.53 64.15 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.798 0.332 . . . . 0.0 110.711 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.87 -21.11 60.21 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.757 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 43.5 p -55.96 116.23 2.86 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.088 0.471 . . . . 0.0 111.201 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -46.73 78.13 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.622 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . 0.525 ' HA2' ' HG3' ' A' ' 7' ' ' LYS . . . -160.23 -60.06 0.01 OUTLIER Glycine 0 C--N 1.333 0.367 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.602 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . 0.579 ' HD2' HG22 ' A' ' 6' ' ' VAL . 1.0 OUTLIER -87.22 114.22 23.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.806 0.336 . . . . 0.0 110.925 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.911 HD12 ' CE2' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -101.39 143.0 31.95 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.017 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -125.75 122.57 36.63 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.639 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.443 ' HG3' HG23 ' B' ' 48' ' ' ILE . 2.2 mtp -127.1 132.84 50.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.899 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.498 ' O ' HD12 ' B' ' 46' ' ' LEU . 21.7 t -107.0 116.27 50.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.996 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 24.8 t -105.23 149.13 8.89 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.061 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . 0.567 ' N ' HD11 ' B' ' 46' ' ' LEU . 0.9 OUTLIER -93.39 110.87 22.42 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.847 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -141.85 -50.43 0.4 Allowed 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.991 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.29 164.3 16.24 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.302 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -97.73 37.65 1.37 Allowed 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.046 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 7.5 mt -104.38 162.41 13.25 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.94 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.445 -0.788 . . . . 0.0 111.397 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 120.779 0.323 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -97.46 140.19 32.26 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.09 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.763 HG22 ' HB3' ' B' ' 38' ' ' ASN . 27.2 t -116.44 125.64 73.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -129.16 105.42 8.16 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.647 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.466 HD23 ' CG ' ' B' ' 36' ' ' ASP . 60.6 mt -103.33 157.01 17.32 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.05 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 20.7 t -129.04 104.18 10.71 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.397 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.406 ' HE3' ' CE2' ' A' ' 14' ' ' TYR . 6.5 ttmt -93.86 127.13 39.44 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.9 p -88.9 166.08 14.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.678 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.19 94.3 0.07 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.097 -179.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 64.38 170.75 0.18 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.06 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 57.44 24.34 10.09 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.444 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -175.66 109.25 0.1 Allowed 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.501 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -129.21 154.28 46.93 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.075 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.646 ' CE2' HD12 ' B' ' 72' ' ' LEU . 27.4 m-85 -58.81 -41.81 87.7 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.057 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 52.54 51.37 43.83 Favored Glycine 0 C--N 1.337 0.589 0 C-N-CA 121.271 -0.49 . . . . 0.0 112.677 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.605 HD23 ' HB3' ' A' ' 14' ' ' TYR . 2.7 pp -121.39 121.61 37.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.924 0.392 . . . . 0.0 111.293 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.462 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -77.98 124.2 27.73 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.263 179.476 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.72 160.52 21.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.984 0.421 . . . . 0.0 111.452 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.675 ' HB3' ' CZ ' ' B' ' 23' ' ' PHE . . . -155.15 179.33 9.25 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.941 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.8 p -129.95 151.95 49.95 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.86 0.362 . . . . 0.0 111.511 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -123.69 177.33 5.75 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.963 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 31.0 mm -134.27 145.14 33.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 120.961 0.41 . . . . 0.0 111.199 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.735 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 17.6 p90 -148.01 174.92 11.43 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.91 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 43' ' ' ASP . 37.6 t -95.26 122.87 47.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.949 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.57 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 42.9 tptt -73.41 -46.3 49.5 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.216 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.531 ' C ' HD13 ' A' ' 27' ' ' ILE . 10.7 pt-20 -173.75 175.96 2.79 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.786 0.327 . . . . 0.0 111.078 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.531 HD13 ' C ' ' A' ' 26' ' ' GLU . 1.7 mm -121.18 144.68 29.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.9 t -90.7 139.89 30.3 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.943 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -73.88 146.52 44.0 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.612 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 57.96 48.42 13.37 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.016 0.436 . . . . 0.0 110.713 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.2 m -133.64 175.28 9.58 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.207 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.677 HD12 ' HA ' ' B' ' 14' ' ' TYR . 41.7 mt -58.44 -38.45 77.49 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.239 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.603 ' HB2' HD12 ' A' ' 39' ' ' ILE . . . -64.96 -47.69 76.7 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.222 179.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.0 76.86 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.222 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.36 -42.91 58.56 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.133 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.89 -37.51 81.84 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.689 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.56 32.46 74.95 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.674 -179.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.732 ' CB ' HG13 ' B' ' 3' ' ' VAL . 17.3 m-80 -114.0 -41.63 3.51 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.554 0.216 . . . . 0.0 111.239 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.763 ' CG1' HG11 ' B' ' 3' ' ' VAL . 15.8 mt -81.57 123.52 37.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.917 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.416 ' CA ' HD11 ' A' ' 27' ' ' ILE . 7.2 tp60 -138.12 149.84 46.29 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.859 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.41 ' HB3' ' HA ' ' A' ' 26' ' ' GLU . 14.2 pt-20 -58.89 131.59 51.44 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.733 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.55 -23.02 36.5 Favored Glycine 0 CA--C 1.521 0.433 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.896 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.554 ' HB3' HG11 ' A' ' 76' ' ' VAL . 3.1 m-20 -56.03 117.02 3.33 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.811 0.305 . . . . 0.0 110.937 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.2 t -81.85 102.2 7.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.96 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.568 ' HA ' HG12 ' A' ' 76' ' ' VAL . 21.3 t -82.35 131.52 33.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.543 -179.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.634 HD23 ' HG3' ' A' ' 47' ' ' LYS . 9.2 tt -110.62 -40.09 4.7 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.172 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.634 ' HG3' HD23 ' A' ' 46' ' ' LEU . 43.5 mttt -127.54 145.77 50.74 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.744 0.306 . . . . 0.0 111.653 -179.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.9 mt -132.1 123.15 50.28 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.745 179.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 19.0 p30 43.81 35.93 1.2 Allowed 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.054 0.542 . . . . 0.0 111.912 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 85.03 38.5 9.19 Favored Glycine 0 C--N 1.335 0.498 0 C-N-CA 120.871 -0.68 . . . . 0.0 113.005 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.6 123.65 8.15 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.872 0.336 . . . . 0.0 110.546 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.703 HG12 ' H ' ' A' ' 54' ' ' GLU . 21.7 t -66.97 140.89 18.67 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.625 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -117.03 26.67 9.63 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.214 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.703 ' H ' HG12 ' A' ' 52' ' ' VAL . 0.4 OUTLIER -91.8 149.97 21.32 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.787 0.327 . . . . 0.0 110.546 179.234 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.541 ' O ' HD22 ' B' ' 58' ' ' LEU . 1.5 p-10 50.42 19.61 0.57 Allowed 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.449 -0.796 . . . . 0.0 112.272 -179.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.6 tpp -102.86 165.88 10.79 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.85 0.357 . . . . 0.0 110.692 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 57.8 p -73.27 138.28 45.41 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.595 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.604 HD22 ' HA ' ' B' ' 55' ' ' ASN . 25.2 tp -55.89 -36.17 67.33 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.588 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.88 -43.4 94.78 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.73 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.1 -41.77 84.25 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.545 179.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.74 -38.4 75.28 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.359 179.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -65.86 -37.92 87.45 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.25 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.64 -41.03 84.52 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.865 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.5 mt -54.4 -37.74 65.39 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.742 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 22.1 mt -75.78 -30.72 21.64 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.962 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -72.03 -55.8 6.76 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 120.758 0.313 . . . . 0.0 110.955 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -61.28 -25.37 67.05 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.582 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.81 113.46 1.33 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.806 0.336 . . . . 0.0 111.186 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.17 121.3 44.95 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.02 -138.63 14.42 Favored Glycine 0 C--N 1.333 0.387 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.872 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.498 ' CE ' HG22 ' B' ' 6' ' ' VAL . 4.3 tttt -70.06 129.35 39.21 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 120.659 0.266 . . . . 0.0 110.873 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.752 HD12 ' CE2' ' B' ' 14' ' ' TYR . 0.6 OUTLIER -105.99 147.91 28.3 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.213 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.631 ' HG3' HG23 ' B' ' 4' ' ' THR . 13.2 mttt -127.09 135.19 50.41 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.705 179.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 7.8 mtm -139.45 118.27 12.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.693 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.7 t -98.14 119.26 45.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.958 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.568 HG12 ' HA ' ' A' ' 45' ' ' VAL . 30.2 m -115.08 164.84 11.1 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.71 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -101.63 104.11 14.95 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.094 179.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -141.95 -52.73 0.42 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.543 179.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -100.84 177.48 4.96 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.445 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -164.59 146.53 8.39 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.488 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.8 tp 62.58 84.27 0.14 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.186 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.761 -0.638 . . . . 0.0 111.081 -179.719 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 19.7 m . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 120.727 0.299 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 25.8 mttp -105.56 124.37 49.45 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.043 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . 0.763 HG11 ' CG1' ' A' ' 39' ' ' ILE . 26.6 t -104.03 126.34 58.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.962 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.631 HG23 ' HG3' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -128.93 108.1 10.15 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 120.715 0.293 . . . . 0.0 111.341 -179.632 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.691 HD21 HD11 ' A' ' 39' ' ' ILE . 2.7 mm? -101.17 157.72 16.56 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.027 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . 0.498 HG22 ' CE ' ' A' ' 71' ' ' LYS . 6.6 t -120.11 103.2 13.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 CA-C-O 120.715 0.293 . . . . 0.0 111.575 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.492 ' HB2' ' CZ ' ' B' ' 14' ' ' TYR . 2.4 ttmt -86.82 149.61 24.72 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.0 179.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 1.3 t 77.44 93.68 0.06 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.307 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -176.16 -72.82 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.544 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 4.7 tttm -107.71 173.34 6.36 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.476 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 28.7 p30 -75.14 57.3 0.84 Allowed 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 120.661 0.267 . . . . 0.0 111.157 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -150.59 130.74 13.55 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.84 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -85.74 -177.05 6.28 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.742 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . 0.752 ' CE2' HD12 ' A' ' 72' ' ' LEU . 13.9 m-85 -53.71 -46.1 70.64 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.975 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.55 47.93 88.48 Favored Glycine 0 C--N 1.335 0.493 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.937 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.546 ' O ' HD12 ' B' ' 16' ' ' LEU . 3.6 pp -128.5 124.5 36.23 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.806 0.336 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.57 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -96.04 129.76 43.23 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.682 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -126.76 146.76 50.11 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.959 0.409 . . . . 0.0 111.46 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.735 ' HB3' ' CZ ' ' A' ' 23' ' ' PHE . . . -133.91 -178.71 5.15 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.8 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.482 ' CB ' HD13 ' A' ' 58' ' ' LEU . 93.1 p -134.05 152.74 51.97 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.017 0.437 . . . . 0.0 111.909 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -128.05 179.98 5.29 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.849 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 34.6 mm -130.24 144.33 38.32 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.139 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.675 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 6.8 p90 -149.09 174.09 12.7 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.988 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.425 HG21 HG23 ' B' ' 39' ' ' ILE . 32.7 t -101.32 119.23 49.23 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.08 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.462 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 21.1 tptm -69.13 -37.5 78.35 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.371 179.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -175.72 174.23 2.24 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.732 0.301 . . . . 0.0 111.128 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 3.5 mp -138.24 134.05 43.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.726 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 6.9 t -74.22 155.23 38.54 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.302 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.77 152.06 24.87 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.924 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 57.82 31.43 20.5 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.046 -179.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.67 175.88 5.34 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.925 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 47.7 mt -57.96 -38.52 76.16 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.586 ' CB ' HD13 ' B' ' 39' ' ' ILE . . . -66.77 -40.04 88.08 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.073 179.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.1 -40.53 89.97 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.07 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -73.76 -40.87 63.16 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.888 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . 0.466 ' CG ' HD23 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -67.07 -34.58 77.97 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.478 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.39 29.8 75.65 Favored Glycine 0 C--N 1.335 0.475 0 C-N-CA 120.94 -0.647 . . . . 0.0 112.756 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.763 ' HB3' HG22 ' A' ' 3' ' ' VAL . 74.4 m-20 -108.71 -32.28 7.4 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 111.533 0.198 . . . . 0.0 111.533 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . 0.586 HD13 ' CB ' ' B' ' 33' ' ' ALA . 3.3 mp -96.74 105.92 17.75 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-O 120.711 0.291 . . . . 0.0 111.083 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.37 153.96 20.95 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.676 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -58.17 113.46 1.93 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.919 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.37 5.74 45.56 Favored Glycine 0 CA--C 1.525 0.668 0 C-N-CA 120.964 -0.636 . . . . 0.0 113.036 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -61.54 149.43 39.03 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.965 0.382 . . . . 0.0 110.875 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.2 t -110.74 101.7 12.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-O 120.761 0.315 . . . . 0.0 111.137 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 21.6 t -79.13 133.67 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.148 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.409 ' CD2' ' HE2' ' B' ' 47' ' ' LYS . 0.8 OUTLIER -113.65 -41.9 3.53 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.399 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . 0.409 ' HE2' ' CD2' ' B' ' 46' ' ' LEU . 8.1 mttm -133.22 152.07 51.94 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.624 0.249 . . . . 0.0 111.635 -179.482 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.825 HD12 HD13 ' B' ' 64' ' ' LEU . 19.8 mt -134.9 119.75 28.58 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.945 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . 0.565 ' ND2' HG22 ' B' ' 48' ' ' ILE . 16.4 p30 42.1 44.96 3.31 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.195 0.598 . . . . 0.0 111.652 -179.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.44 38.33 33.53 Favored Glycine 0 C--N 1.335 0.499 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.823 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.59 116.26 7.18 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.878 0.339 . . . . 0.0 110.52 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.653 HG12 ' H ' ' B' ' 54' ' ' GLU . 12.1 t -61.72 140.67 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.639 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.27 22.27 13.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.552 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . 0.653 ' H ' HG12 ' B' ' 52' ' ' VAL . 0.1 OUTLIER -92.32 144.57 25.26 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-O 120.81 0.338 . . . . 0.0 110.333 179.12 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . 0.604 ' HA ' HD22 ' A' ' 58' ' ' LEU . 5.4 m120 62.49 14.93 7.41 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.993 -179.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 2.4 tpp -100.64 164.75 11.74 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.84 0.352 . . . . 0.0 111.051 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.45 146.03 34.71 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.736 179.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.541 HD22 ' O ' ' A' ' 55' ' ' ASN . 17.0 tp -55.8 -31.83 62.99 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.934 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.92 -41.0 97.43 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.743 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -57.08 -43.9 82.62 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.676 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.76 -36.56 69.95 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.735 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -68.61 -35.28 77.11 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.608 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -70.38 -41.13 73.45 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.076 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.825 HD13 HD12 ' B' ' 48' ' ' ILE . 0.9 OUTLIER -54.7 -39.6 68.33 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.759 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 40.2 mt -72.35 -31.14 37.53 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.83 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -75.48 -46.89 29.68 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.682 0.277 . . . . 0.0 110.896 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 -59.55 -23.28 62.75 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.689 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 9.3 t -55.46 107.57 0.34 Allowed 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 120.794 0.331 . . . . 0.0 110.929 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -62.46 -38.19 88.86 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.283 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -160.48 -63.58 0.01 OUTLIER Glycine 0 C--N 1.333 0.389 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.472 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -86.6 123.67 32.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.705 0.288 . . . . 0.0 111.253 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.646 HD12 ' CE2' ' A' ' 14' ' ' TYR . 0.4 OUTLIER -107.95 120.84 43.43 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.794 179.765 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -106.51 131.03 54.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.656 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -143.23 138.62 29.78 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.8 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 21.6 t -107.04 111.22 34.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.725 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 16.0 m -110.79 149.51 13.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.39 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.88 106.29 3.03 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.791 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 2.6 ptt180 -110.61 171.82 7.23 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.23 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -66.9 138.66 57.46 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 67.76 163.48 0.2 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.016 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 58.18 38.25 26.31 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.8 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.061 -0.971 . . . . 0.0 111.361 -179.787 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.851 HG22 HG23 ' B' ' 76' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 120.812 0.339 . . . . 0.0 111.57 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.7 mtmm -120.94 139.03 53.81 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.597 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.714 HG11 ' CG1' ' B' ' 39' ' ' ILE . 32.8 t -113.65 126.46 71.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.949 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.501 HG23 ' HG3' ' B' ' 73' ' ' LYS . 0.2 OUTLIER -128.92 112.73 14.4 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.962 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 70.8 mt -109.64 156.79 19.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.96 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.6 t -125.52 101.16 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.151 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.127 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.476 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 4.7 ttmm -70.66 143.08 51.51 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.26 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.6 p -91.51 -169.75 2.4 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.924 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -60.07 3.67 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.818 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.1 mttp -160.28 170.02 21.96 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.828 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 60.49 26.89 16.52 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.755 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -162.28 74.61 0.42 Allowed 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.038 0.447 . . . . 0.0 110.771 179.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -83.66 177.89 8.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.165 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.895 ' HA ' HD12 ' B' ' 32' ' ' LEU . 88.4 m-85 -66.91 -34.34 77.57 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.427 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.29 41.23 92.88 Favored Glycine 0 C--N 1.334 0.469 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.642 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.567 HD12 ' O ' ' A' ' 16' ' ' LEU . 4.2 pp -116.92 136.29 53.06 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.862 0.363 . . . . 0.0 110.702 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.543 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -90.91 116.45 28.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.098 -179.634 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.707 HD11 ' CG2' ' B' ' 22' ' ' ILE . 0.3 OUTLIER -104.89 137.71 42.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.232 -179.712 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.59 ' N ' HD13 ' A' ' 18' ' ' LEU . . . -139.72 169.0 18.53 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 179.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.405 ' OG ' ' HA ' ' A' ' 55' ' ' ASN . 91.8 p -125.34 150.38 47.23 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.854 0.359 . . . . 0.0 111.387 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.646 ' O ' HD12 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -115.55 176.04 5.25 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.629 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.826 HG23 HD11 ' B' ' 18' ' ' LEU . 1.2 mp -132.51 132.69 60.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.805 0.336 . . . . 0.0 111.004 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.554 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 13.3 p90 -139.7 179.04 6.81 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.065 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.9 t -103.1 115.0 44.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-O 120.788 0.327 . . . . 0.0 111.305 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.595 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 27.2 tptt -66.11 -39.76 90.21 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.139 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.424 ' HG2' ' HB2' ' B' ' 17' ' ' ARG . 3.4 pt-20 -178.01 172.72 1.59 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.216 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.5 mp -130.45 137.91 55.08 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.916 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.93 152.36 22.49 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.459 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -79.57 158.08 27.22 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.973 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 61.16 29.57 18.88 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.228 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m -116.04 173.72 6.42 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.844 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.9 mt -57.58 -43.56 84.66 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.546 ' HB2' HD12 ' A' ' 39' ' ' ILE . . . -59.74 -38.23 81.16 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.292 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.87 -42.45 94.82 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.688 0.28 . . . . 0.0 110.989 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.71 -37.59 73.57 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.792 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.85 -41.56 71.3 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.37 35.47 91.47 Favored Glycine 0 CA--C 1.52 0.362 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.496 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.539 ' CB ' HG13 ' B' ' 3' ' ' VAL . 2.6 m-80 -110.3 -36.88 5.68 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 -179.668 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.546 HD12 ' HB2' ' A' ' 33' ' ' ALA . 25.1 mt -84.55 136.38 22.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.201 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -129.88 153.92 47.82 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.19 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.81 118.55 9.82 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.45 -19.14 43.17 Favored Glycine 0 CA--C 1.521 0.466 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.799 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -55.32 137.01 48.64 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.787 0.327 . . . . 0.0 111.109 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.4 t -98.29 122.09 49.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.539 HG11 ' HG2' ' A' ' 74' ' ' MET . 21.0 t -96.63 134.88 32.61 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.499 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.1 tp -98.9 -40.66 7.98 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.24 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -134.43 153.4 51.93 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.937 0.399 . . . . 0.0 111.609 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.543 HD12 HG21 ' A' ' 53' ' ' THR . 29.8 mt -141.62 118.11 7.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.448 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 58.73 39.45 24.28 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.95 25.32 71.82 Favored Glycine 0 CA--C 1.523 0.557 0 C-N-CA 120.981 -0.628 . . . . 0.0 113.27 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.61 129.2 21.46 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.998 0.399 . . . . 0.0 110.677 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.495 HG12 ' H ' ' A' ' 54' ' ' GLU . 12.8 t -71.09 137.54 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.616 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.778 ' O ' HD13 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -108.51 32.3 4.95 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.2 179.772 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.495 ' H ' HG12 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -90.57 148.92 22.38 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 120.725 0.298 . . . . 0.0 110.202 179.109 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.524 ' HB2' HD22 ' B' ' 58' ' ' LEU . 7.6 p30 51.73 18.67 0.78 Allowed 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.198 -179.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.4 ttm -102.07 153.31 20.04 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.753 0.311 . . . . 0.0 110.715 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.1 t -61.07 146.07 48.62 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.679 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.62 HD11 ' HA ' ' B' ' 19' ' ' ALA . 33.9 tp -54.7 -33.53 61.09 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.631 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.95 -39.56 83.41 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.554 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.39 -45.94 69.48 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.954 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.91 -40.89 77.15 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.939 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.1 mtpt -64.84 -40.12 94.65 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.557 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.81 -39.85 93.18 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.942 179.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.505 HD13 ' HB ' ' A' ' 48' ' ' ILE . 1.9 mt -55.63 -34.76 65.2 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.828 0.347 . . . . 0.0 110.338 179.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 21.9 mm -67.92 -34.32 66.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.74 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.26 -40.35 52.08 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.855 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.06 -28.85 66.84 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.547 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.2 t -60.08 103.62 0.24 Allowed 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.931 0.396 . . . . 0.0 111.057 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -31.31 71.23 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.423 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -148.8 -95.98 0.16 Allowed Glycine 0 C--N 1.335 0.503 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.774 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.88 148.67 45.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.901 0.382 . . . . 0.0 111.177 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.715 HD12 ' CZ ' ' B' ' 14' ' ' TYR . 0.5 OUTLIER -127.05 126.58 43.32 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.831 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.58 ' HG2' HG23 ' B' ' 4' ' ' THR . 11.2 mtmt -108.07 106.84 17.24 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.177 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.539 ' HG2' HG11 ' A' ' 45' ' ' VAL . 0.3 OUTLIER -113.04 122.74 48.52 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 179.669 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 37.6 t -98.47 133.29 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.865 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 7.6 m -119.04 166.4 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-O 120.867 0.365 . . . . 0.0 111.665 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -93.02 160.76 14.72 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.992 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 62.72 179.11 0.14 Allowed 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.072 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -148.24 82.6 1.49 Allowed 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.819 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -88.5 120.42 29.86 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.403 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 31.7 mt -148.31 -63.51 0.25 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.187 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.248 0.978 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.748 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 120.91 0.386 . . . . 0.0 111.487 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -125.2 135.1 52.26 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.643 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . 0.66 HG12 ' CD2' ' B' ' 5' ' ' LEU . 25.7 t -118.54 127.13 75.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.765 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.58 HG23 ' HG2' ' A' ' 73' ' ' LYS . 0.7 OUTLIER -128.13 108.29 10.52 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.878 0.37 . . . . 0.0 111.366 -179.803 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.66 ' CD2' HG12 ' B' ' 3' ' ' VAL . 3.5 mm? -100.79 160.47 14.33 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.861 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 20.5 t -127.7 99.12 4.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.155 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.483 ' HB2' ' CZ ' ' B' ' 14' ' ' TYR . 11.4 ttmt -90.06 130.68 36.21 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.038 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.451 ' HB2' ' HB2' ' B' ' 11' ' ' ASN . 0.3 OUTLIER -91.1 -171.67 3.06 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.71 179.658 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -81.22 99.29 8.51 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.933 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt 41.86 44.55 2.92 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.028 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . 0.451 ' HB2' ' HB2' ' B' ' 8' ' ' SER . 1.8 m-80 -112.35 -41.66 3.85 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.336 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -158.17 119.99 3.61 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.612 0.244 . . . . 0.0 110.709 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.56 173.48 11.92 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.913 0.387 . . . . 0.0 110.922 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . 0.784 ' HB3' HD23 ' B' ' 16' ' ' LEU . 32.8 m-85 -71.83 -30.97 66.04 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.522 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.56 32.32 64.68 Favored Glycine 0 C--N 1.335 0.476 0 C-N-CA 121.075 -0.583 . . . . 0.0 112.953 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.784 HD23 ' HB3' ' B' ' 14' ' ' TYR . 3.2 pp -108.77 134.3 51.67 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.764 0.316 . . . . 0.0 110.747 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.595 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 3.6 mmt180 -92.19 118.87 31.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.743 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.826 HD11 HG23 ' A' ' 22' ' ' ILE . 0.4 OUTLIER -102.05 126.41 48.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.62 ' HA ' HD11 ' A' ' 58' ' ' LEU . . . -121.54 173.48 7.38 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.991 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 75.1 p -127.89 146.5 50.61 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.148 0.499 . . . . 0.0 111.895 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' HIS . . . . . 0.506 ' O ' HD13 ' B' ' 22' ' ' ILE . 0.1 OUTLIER -116.44 -178.03 3.32 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.899 179.766 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.707 ' CG2' HD11 ' A' ' 18' ' ' LEU . 26.2 mm -132.23 137.43 54.58 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.206 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.526 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 11.0 p90 -149.64 179.76 7.74 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.196 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t -107.1 121.13 59.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.12 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.543 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 17.4 tptt -74.27 -39.5 62.93 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.252 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -174.08 177.37 2.35 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.909 0.385 . . . . 0.0 111.25 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 3.0 mp -131.74 137.52 54.89 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.969 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 25.3 t -78.79 158.53 28.2 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.24 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -85.19 151.61 23.97 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.902 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 58.4 34.91 24.4 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.216 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 24.3 p -114.65 174.04 6.16 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.091 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.895 HD12 ' HA ' ' A' ' 14' ' ' TYR . 4.5 mt -60.7 -42.15 96.61 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.08 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.477 ' CB ' HD12 ' B' ' 39' ' ' ILE . . . -61.02 -45.74 93.58 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.242 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.21 -35.85 80.13 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.197 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 9.1 mtm180 -78.08 -39.46 41.47 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.03 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.54 -34.59 76.13 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.323 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.59 33.74 88.05 Favored Glycine 0 C--N 1.335 0.49 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.95 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.589 ' HB3' HG22 ' A' ' 3' ' ' VAL . 36.9 m-80 -110.3 -32.27 7.02 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.706 0.253 . . . . 0.0 111.552 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . 0.714 ' CG1' HG11 ' A' ' 3' ' ' VAL . 22.9 mt -92.97 137.7 21.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-O 120.733 0.301 . . . . 0.0 111.112 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -134.65 143.58 47.36 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.47 123.31 16.39 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.803 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.81 -21.35 36.55 Favored Glycine 0 CA--C 1.522 0.499 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.873 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.41 137.34 48.31 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.761 0.315 . . . . 0.0 111.303 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.2 t -95.53 123.25 47.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . 0.431 HG11 ' HG2' ' B' ' 74' ' ' MET . 22.0 t -99.15 128.81 50.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.231 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.467 ' O ' HG13 ' B' ' 52' ' ' VAL . 0.5 OUTLIER -100.15 -34.28 10.11 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.152 179.672 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . 0.475 ' HG3' HG22 ' B' ' 52' ' ' VAL . 6.7 mttm -134.64 153.06 52.15 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.787 0.327 . . . . 0.0 111.477 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.774 HD12 HG21 ' B' ' 53' ' ' THR . 21.0 mt -139.83 118.83 12.18 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.513 179.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 57.13 36.03 27.03 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.471 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.92 31.49 53.17 Favored Glycine 0 C--N 1.335 0.501 0 C-N-CA 120.916 -0.659 . . . . 0.0 113.121 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.69 123.75 8.78 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.777 0.288 . . . . 0.0 110.52 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.662 HG12 ' H ' ' B' ' 54' ' ' GLU . 17.1 t -66.29 132.02 31.88 Favored 'Isoleucine or valine' 0 C--O 1.231 0.106 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.473 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.774 HG21 HD12 ' B' ' 48' ' ' ILE . 1.0 OUTLIER -106.56 25.42 11.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.452 -179.883 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . 0.662 ' H ' HG12 ' B' ' 52' ' ' VAL . 1.1 tt0 -80.04 144.15 33.44 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . 0.483 ' O ' HD22 ' A' ' 58' ' ' LEU . 5.2 m120 62.16 15.15 7.2 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.875 -179.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' MET . . . . . 0.506 ' HE3' ' HA ' ' B' ' 53' ' ' THR . 1.3 ttm -103.16 160.28 14.79 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.785 0.326 . . . . 0.0 110.881 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.1 m -69.95 146.06 51.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.772 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.524 HD22 ' HB2' ' A' ' 55' ' ' ASN . 35.0 tp -54.88 -32.57 61.03 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.026 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 1.2 m -63.73 -37.97 89.35 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.675 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.21 -48.36 73.97 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.976 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.63 -41.61 77.43 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.62 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 23.1 mttt -62.53 -40.54 97.1 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.486 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.33 -41.89 90.17 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.618 179.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.729 HD13 ' HB ' ' B' ' 48' ' ' ILE . 0.6 OUTLIER -52.2 -38.04 56.71 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.698 179.48 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 22.5 mt -74.2 -31.18 28.58 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.705 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -75.76 -42.29 50.81 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.03 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.21 -7.18 59.65 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 94.0 p -55.18 115.94 2.52 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.979 0.419 . . . . 0.0 111.056 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 4.3 mmtm -78.6 74.84 5.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.307 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 82.74 -85.78 1.49 Allowed Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.882 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.36 144.23 32.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.852 0.358 . . . . 0.0 111.333 -179.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.408 HD12 ' CZ ' ' A' ' 14' ' ' TYR . 0.4 OUTLIER -122.79 140.42 52.93 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.903 -179.905 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . 0.501 ' HG3' HG23 ' A' ' 4' ' ' THR . 9.8 mttp -120.99 131.74 54.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.731 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.431 ' HG2' HG11 ' B' ' 45' ' ' VAL . 2.0 ttm -135.86 124.25 23.38 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.673 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 21.6 t -101.25 118.17 47.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.031 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.851 HG23 HG22 ' A' ' 1' ' ' THR . 14.9 m -111.58 177.12 1.52 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.225 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -128.24 161.25 29.78 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 20.7 mtt85 64.41 -178.23 0.17 Allowed 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.824 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 6.2 t0 68.04 107.27 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.309 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -125.18 107.41 10.72 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.67 -49.05 76.65 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.983 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 . . . . . 0 C--O 1.252 1.191 0 CA-C-O 118.435 -0.793 . . . . 0.0 111.123 -179.958 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 61.7 m . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 120.651 0.262 . . . . 0.0 111.273 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.1 mptt -130.65 129.68 42.96 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.817 HG11 HG13 ' B' ' 39' ' ' ILE . 38.3 t -112.95 131.09 65.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.734 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.5 m -129.1 112.1 13.63 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-O 120.72 0.295 . . . . 0.0 111.125 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.41 ' CD1' HD23 ' A' ' 16' ' ' LEU . 46.4 mt -107.04 160.2 15.73 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.095 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.67 100.91 5.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.894 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 7.5 ttmt -76.2 141.69 41.72 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.065 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 79.7 p -105.68 179.99 4.11 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.162 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.19 -169.24 0.48 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.697 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 70.22 -166.17 0.16 Allowed 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.779 -0.191 . . . . 0.0 110.499 -179.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -93.55 46.5 1.2 Allowed 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 120.94 0.4 . . . . 0.0 110.782 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -81.82 156.63 24.79 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.96 150.74 51.3 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.976 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.645 ' CE2' HD12 ' B' ' 72' ' ' LEU . 62.4 m-85 -60.88 -39.73 90.35 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.308 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.74 -25.87 12.35 Favored Glycine 0 C--N 1.335 0.507 0 C-N-CA 120.905 -0.664 . . . . 0.0 113.067 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.48 ' CD1' HD13 ' A' ' 18' ' ' LEU . 2.5 pp -69.06 115.62 8.56 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.976 0.417 . . . . 0.0 111.021 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.493 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.1 OUTLIER -88.18 129.08 35.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.953 179.497 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.48 HD13 ' CD1' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -121.56 156.09 33.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.074 0.464 . . . . 0.0 111.623 -179.689 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.705 ' HB3' ' CZ ' ' B' ' 23' ' ' PHE . . . -151.82 177.39 10.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.13 -179.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.439 ' OG ' ' HA ' ' A' ' 55' ' ' ASN . 93.7 p -131.39 149.6 52.48 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 120.839 0.352 . . . . 0.0 111.386 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.514 ' HD2' ' CE1' ' B' ' 23' ' ' PHE . 0.2 OUTLIER -120.23 -179.9 4.09 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.789 -179.886 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 28.9 mm -127.67 140.61 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.188 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.468 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 8.1 p90 -146.91 172.86 13.03 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.258 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.557 HG21 HG23 ' A' ' 39' ' ' ILE . 21.5 t -101.14 108.55 23.61 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.86 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.555 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 9.4 tptm -59.79 -38.09 80.93 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.152 179.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -177.29 178.78 1.04 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.869 0.366 . . . . 0.0 111.334 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.0 mp -133.01 149.27 31.58 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.051 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.0 m -93.41 155.98 17.04 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.215 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -79.3 150.55 31.47 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.335 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.2 t70 56.39 42.29 27.82 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.908 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 73.6 m -121.24 171.2 8.89 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.079 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.474 HD11 ' HA ' ' B' ' 7' ' ' LYS . 19.9 mt -62.05 -40.18 94.87 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.263 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.1 -44.08 96.68 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.021 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.63 -39.88 91.93 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.103 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.99 -48.28 58.8 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.968 179.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.27 -34.02 75.75 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.44 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.2 33.89 88.12 Favored Glycine 0 C--N 1.336 0.562 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.843 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.732 ' CB ' HG13 ' B' ' 3' ' ' VAL . 76.1 m-20 -112.37 -38.47 4.67 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.609 0.242 . . . . 0.0 111.344 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.557 HG23 HG21 ' A' ' 24' ' ' VAL . 4.2 mp -93.09 105.41 16.77 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.805 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.28 150.05 28.54 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.773 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.65 127.61 32.53 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.831 0.348 . . . . 0.0 110.796 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.59 -23.58 31.0 Favored Glycine 0 CA--C 1.521 0.421 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.867 -179.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -56.58 146.23 25.79 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.787 0.327 . . . . 0.0 111.118 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.1 t -110.44 113.61 44.72 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.225 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.3 t -90.33 134.87 27.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.401 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.648 HD23 ' HG3' ' A' ' 47' ' ' LYS . 5.7 tt -106.03 -40.81 5.56 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.142 179.425 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.648 ' HG3' HD23 ' A' ' 46' ' ' LEU . 25.7 mttt -128.4 151.39 49.42 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.9 0.381 . . . . 0.0 111.874 -179.575 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.518 HG23 ' HG2' ' A' ' 74' ' ' MET . 39.7 mt -140.57 119.04 10.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.407 179.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.447 ' OD1' HD23 ' A' ' 72' ' ' LEU . 10.3 m-20 57.83 36.72 26.66 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.255 -179.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.32 25.65 65.47 Favored Glycine 0 CA--C 1.524 0.626 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.957 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.58 133.78 36.73 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.848 0.324 . . . . 0.0 110.524 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.643 HG12 ' H ' ' A' ' 54' ' ' GLU . 15.2 t -70.69 135.95 27.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.71 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.46 23.88 12.38 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.254 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.643 ' H ' HG12 ' A' ' 52' ' ' VAL . 0.3 OUTLIER -87.37 150.28 23.93 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 120.752 0.311 . . . . 0.0 110.47 179.387 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.825 ' HB2' HD22 ' B' ' 58' ' ' LEU . 8.1 p30 51.11 17.6 0.48 Allowed 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.64 -179.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.7 tpp -99.9 168.37 9.92 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.811 0.339 . . . . 0.0 110.997 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.8 p -71.48 143.32 50.07 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.607 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.545 HD22 ' HA ' ' B' ' 55' ' ' ASN . 41.5 tp -57.71 -32.92 67.86 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.962 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.88 -36.79 75.75 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.954 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -53.63 -45.19 70.07 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.44 -40.59 82.97 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.701 179.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 63' ' ' THR . 0.0 OUTLIER -61.95 -36.89 82.76 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.889 179.378 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.421 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 0.2 OUTLIER -63.84 -40.89 97.67 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.981 179.476 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.8 -36.12 64.61 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.755 0.312 . . . . 0.0 110.366 179.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 17.4 mm -67.72 -33.05 59.43 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.946 179.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -76.76 -49.84 14.98 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.156 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -61.73 -25.05 67.2 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.314 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.407 ' OG ' ' HG ' ' A' ' 72' ' ' LEU . 3.5 m -51.66 111.34 0.58 Allowed 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.812 0.339 . . . . 0.0 111.191 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt -78.25 78.39 4.72 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.049 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 79.21 -73.52 2.34 Favored Glycine 0 C--N 1.334 0.454 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.675 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 24.5 tttt -79.65 134.54 36.44 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.855 0.359 . . . . 0.0 111.3 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.469 HD12 ' CZ ' ' B' ' 14' ' ' TYR . 0.5 OUTLIER -117.09 135.4 53.77 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.811 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.3 mttp -117.65 132.33 56.51 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.612 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.518 ' HG2' HG23 ' A' ' 48' ' ' ILE . 8.1 mtm -145.41 133.87 21.94 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.971 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.3 t -107.71 125.44 64.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.779 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.5 t -100.16 140.35 19.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.266 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -111.29 155.49 22.94 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.227 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 -157.95 129.7 6.85 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.085 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 64.9 173.17 0.2 Allowed 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.537 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.01 141.68 34.16 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.64 129.49 50.94 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.299 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 . . . . . 0 C--O 1.252 1.203 0 CA-C-O 118.551 -0.738 . . . . 0.0 110.932 179.884 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 48.2 m . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 120.684 0.278 . . . . 0.0 111.401 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -123.99 139.82 53.57 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . 0.732 HG13 ' CB ' ' A' ' 38' ' ' ASN . 21.5 t -126.99 123.76 63.17 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.911 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.01 105.68 8.36 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.846 179.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.536 HD11 HD13 ' A' ' 39' ' ' ILE . 73.0 mt -96.89 150.84 20.28 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.69 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . 0.458 ' O ' HD22 ' A' ' 32' ' ' LEU . 25.0 t -122.8 101.81 10.4 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.938 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.474 ' HA ' HD11 ' A' ' 32' ' ' LEU . 0.9 OUTLIER -78.95 146.46 33.44 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.309 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.41 145.89 23.11 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.086 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 7.7 mtt85 64.73 174.95 0.2 Allowed 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.49 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.81 29.61 6.11 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.129 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -147.71 25.5 1.05 Allowed 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.352 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -143.1 61.66 1.4 Allowed 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.939 0.4 . . . . 0.0 110.743 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -66.32 163.58 17.79 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . 0.771 ' HB3' HD23 ' B' ' 16' ' ' LEU . 50.6 m-85 -60.09 -29.76 68.79 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.375 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.87 49.97 56.43 Favored Glycine 0 C--N 1.338 0.651 0 C-N-CA 121.306 -0.473 . . . . 0.0 112.835 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.771 HD23 ' HB3' ' B' ' 14' ' ' TYR . 2.4 pp -120.39 123.57 43.38 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.921 0.391 . . . . 0.0 111.199 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.555 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -80.75 107.88 13.94 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.539 179.839 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.766 HD23 ' CD1' ' B' ' 16' ' ' LEU . 0.2 OUTLIER -91.25 147.89 22.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.394 -179.627 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.489 ' HA ' HD11 ' A' ' 58' ' ' LEU . . . -154.48 171.25 19.69 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.096 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 84.8 p -135.84 153.96 51.33 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.967 0.413 . . . . 0.0 111.844 -179.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' HIS . . . . . 0.452 ' HD2' ' CE1' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -127.85 178.4 6.19 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.989 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 21.5 mm -127.26 141.44 46.31 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.22 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.705 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 8.5 p90 -148.23 175.07 11.37 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 40.0 t -93.75 123.35 45.82 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.709 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.493 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 21.5 tptt -71.72 -43.1 66.46 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.536 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -178.73 176.29 0.98 Allowed 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.748 0.309 . . . . 0.0 111.16 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 4.1 mm -121.38 131.34 73.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.68 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 57.7 m -83.6 137.16 33.95 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.42 146.65 46.82 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.818 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 58.19 41.25 23.96 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.84 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.12 179.66 4.96 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.75 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.611 HD12 ' HA ' ' A' ' 14' ' ' TYR . 51.5 mt -60.33 -36.35 77.76 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.3 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.47 -39.24 91.75 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.244 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.71 -42.82 81.34 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.123 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 27.2 mtt-85 -66.3 -45.76 79.28 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.658 179.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.75 -40.49 84.09 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.144 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.22 37.31 94.68 Favored Glycine 0 C--N 1.335 0.527 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.69 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.515 ' CB ' HG13 ' A' ' 3' ' ' VAL . 13.7 m-80 -113.72 -36.31 4.9 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . 0.817 HG13 HG11 ' A' ' 3' ' ' VAL . 3.1 mp -87.17 134.58 27.28 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-O 120.71 0.29 . . . . 0.0 111.114 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -123.27 152.82 40.98 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.907 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.93 121.32 17.12 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.665 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.87 -16.76 50.47 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 120.876 -0.678 . . . . 0.0 113.124 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.9 134.03 42.92 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.923 0.361 . . . . 0.0 111.233 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 27.7 t -90.35 108.73 19.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.847 0.356 . . . . 0.0 110.931 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . 0.675 HG22 HG12 ' B' ' 76' ' ' VAL . 24.4 t -88.29 127.13 41.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.227 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.5 -43.64 7.88 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.005 179.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . 0.522 ' CG ' HG22 ' B' ' 52' ' ' VAL . 0.0 OUTLIER -134.92 160.17 39.13 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 120.983 0.42 . . . . 0.0 111.966 -179.859 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.581 HD13 HD13 ' B' ' 64' ' ' LEU . 3.7 mp -132.32 115.86 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.507 179.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 21.1 p30 44.74 34.51 1.19 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.176 0.59 . . . . 0.0 111.885 -179.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.46 40.74 5.31 Favored Glycine 0 C--N 1.335 0.48 0 C-N-CA 120.903 -0.665 . . . . 0.0 113.21 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -156.24 118.07 3.95 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.875 0.337 . . . . 0.0 110.583 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.557 HG12 ' H ' ' B' ' 54' ' ' GLU . 23.6 t -77.23 137.95 21.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.546 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.432 ' OG1' HD11 ' B' ' 48' ' ' ILE . 0.8 OUTLIER -113.47 33.65 5.0 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.582 -179.837 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . 0.557 ' H ' HG12 ' B' ' 52' ' ' VAL . 0.1 OUTLIER -88.19 139.56 30.38 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.858 0.361 . . . . 0.0 110.37 179.288 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . 0.545 ' HA ' HD22 ' A' ' 58' ' ' LEU . 20.1 m-20 64.82 15.58 9.93 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.081 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -103.9 -178.14 3.57 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.8 0.333 . . . . 0.0 110.965 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.98 145.94 24.0 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.835 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.825 HD22 ' HB2' ' A' ' 55' ' ' ASN . 9.9 tp -56.23 -30.58 62.56 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.854 179.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.99 -40.69 90.01 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.823 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.04 -42.49 90.36 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.627 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.83 -39.5 77.78 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.428 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 18.7 mtmt -63.59 -36.62 84.42 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.392 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.96 -39.97 94.29 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.97 179.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.581 HD13 HD13 ' B' ' 48' ' ' ILE . 2.1 mt -56.18 -35.22 66.99 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.755 0.312 . . . . 0.0 110.712 179.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 17.6 mt -77.99 -29.27 15.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.968 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.57 -47.23 19.96 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.773 0.32 . . . . 0.0 111.002 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -62.12 -21.43 65.01 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.107 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 60.3 p -55.03 105.25 0.15 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 120.963 0.411 . . . . 0.0 110.914 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -33.88 72.42 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.544 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -164.28 -70.67 0.02 OUTLIER Glycine 0 C--N 1.334 0.449 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.354 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 ptpp? -83.62 140.28 32.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.807 0.337 . . . . 0.0 111.033 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.645 HD12 ' CE2' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -118.73 146.2 44.94 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.787 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 7.8 mtmt -126.95 135.57 51.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.657 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -139.24 126.88 21.84 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 22.0 t -109.16 111.06 34.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.675 HG12 HG22 ' B' ' 45' ' ' VAL . 36.0 m -105.1 164.37 4.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.307 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.34 129.76 39.34 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -136.27 81.02 1.86 Allowed 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.951 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.68 118.19 29.47 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -63.18 -40.23 96.93 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.342 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.455 HD12 ' H ' ' B' ' 81' ' ' LEU . 1.8 mp -82.03 -171.41 3.38 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.796 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.087 -0.958 . . . . 0.0 111.414 179.926 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 27.5 m . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 120.705 0.288 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.8 ptmm? -131.05 130.89 43.82 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.395 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.706 HG13 ' HB3' ' B' ' 38' ' ' ASN . 32.0 t -114.6 131.33 67.04 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.874 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.515 ' C ' HD22 ' A' ' 5' ' ' LEU . 3.0 m -129.05 123.61 32.73 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.71 0.29 . . . . 0.0 111.424 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.515 HD22 ' C ' ' A' ' 4' ' ' THR . 4.0 mm? -117.22 160.29 21.3 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.79 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.499 HG22 ' HG2' ' B' ' 71' ' ' LYS . 17.0 t -127.02 98.74 4.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.038 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.513 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 15.4 ttmt -65.61 138.38 57.98 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.082 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.2 m -123.47 -168.85 1.84 Allowed 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.86 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -93.72 37.2 1.07 Allowed 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.382 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.4 tptp -78.12 -67.29 0.75 Allowed 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.74 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -146.53 22.61 1.3 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.331 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 50.98 32.21 7.21 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.785 0.326 . . . . 0.0 111.395 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -147.95 137.22 22.22 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.013 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.874 ' HA ' HD12 ' B' ' 32' ' ' LEU . 83.7 m-85 -75.61 -24.43 56.52 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.553 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.39 30.33 41.4 Favored Glycine 0 C--N 1.336 0.54 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.786 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.494 HD23 ' HB3' ' A' ' 14' ' ' TYR . 2.7 pp -120.37 120.91 37.34 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.834 0.35 . . . . 0.0 110.778 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.441 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -73.41 122.6 22.34 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.773 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.751 HD11 HG23 ' B' ' 22' ' ' ILE . 0.9 OUTLIER -100.88 135.53 42.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.305 -179.603 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.622 ' N ' HD13 ' A' ' 18' ' ' LEU . . . -134.84 170.95 15.09 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.662 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.4 p -134.58 150.55 50.73 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.961 0.41 . . . . 0.0 111.944 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.409 ' O ' HD13 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -117.99 177.61 4.72 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.87 179.85 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.661 ' CG2' HD11 ' B' ' 18' ' ' LEU . 33.4 mm -133.47 137.4 53.07 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 120.687 0.28 . . . . 0.0 111.243 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.47 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 6.1 p90 -149.5 -179.06 6.79 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.315 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 25.3 t -107.54 114.94 47.59 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.911 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.514 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 15.7 tptm -65.36 -40.05 93.11 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.289 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -174.92 176.37 2.18 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.907 0.384 . . . . 0.0 111.089 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.405 ' CG2' ' HB3' ' A' ' 33' ' ' ALA . 2.9 mt -131.13 134.67 61.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.985 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.7 m -75.23 149.11 38.98 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.187 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -79.11 152.51 30.75 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.947 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 59.45 28.19 17.5 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.525 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.29 175.17 5.58 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.785 0.326 . . . . 0.0 110.908 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.442 HD12 ' N ' ' B' ' 14' ' ' TYR . 25.9 mt -58.03 -35.62 71.57 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.319 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.405 ' HB3' ' CG2' ' A' ' 27' ' ' ILE . . . -65.31 -43.12 92.06 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.642 -0.253 . . . . 0.0 111.273 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.88 -39.74 90.36 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.173 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -74.49 -43.49 55.76 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.957 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -64.27 -36.65 84.8 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.387 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.78 45.87 93.27 Favored Glycine 0 C--N 1.335 0.519 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.803 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.66 ' CB ' HG13 ' B' ' 3' ' ' VAL . 10.4 m-80 -125.53 -46.72 1.74 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.457 0.17 . . . . 0.0 111.279 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.691 ' CD1' HG11 ' B' ' 3' ' ' VAL . 30.5 mm -72.69 136.23 26.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-O 120.771 0.32 . . . . 0.0 111.152 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.43 141.44 45.43 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.565 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.07 127.98 33.94 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.992 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.29 -22.3 39.64 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.837 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.8 138.97 55.09 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.822 0.344 . . . . 0.0 111.138 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 22.6 t -94.04 119.51 42.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.236 -179.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.687 ' HA ' HG12 ' A' ' 76' ' ' VAL . 21.3 t -92.04 114.77 29.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.972 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.5 mp -83.48 -46.62 12.26 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.001 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -131.01 157.43 43.02 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.34 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.75 ' HB ' HD13 ' A' ' 64' ' ' LEU . 31.4 mt -139.02 121.51 17.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.593 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 58.34 32.08 21.64 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.245 -179.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.57 34.74 27.6 Favored Glycine 0 C--N 1.337 0.609 0 C-N-CA 120.996 -0.621 . . . . 0.0 113.065 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.02 125.81 9.69 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.861 0.331 . . . . 0.0 110.744 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.535 HG12 ' H ' ' A' ' 54' ' ' GLU . 17.3 t -67.44 137.75 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.645 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.47 ' HB ' HG13 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -119.79 33.08 5.76 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.473 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.535 ' H ' HG12 ' A' ' 52' ' ' VAL . 1.9 tt0 -93.32 142.77 26.95 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.779 0.323 . . . . 0.0 110.428 179.187 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 66.89 9.39 6.79 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.282 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.3 ttm -103.12 175.98 5.3 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.745 0.307 . . . . 0.0 110.601 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.0 p -75.2 139.34 42.57 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.301 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.764 HD22 ' HA ' ' B' ' 55' ' ' ASN . 62.2 tp -54.47 -33.87 60.47 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.915 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.87 -42.76 94.42 Favored 'General case' 0 C--O 1.227 -0.106 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.058 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.77 -48.83 66.54 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.651 0.263 . . . . 0.0 110.719 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.23 -39.22 82.07 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.29 178.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 63' ' ' THR . 0.0 OUTLIER -64.74 -37.4 87.49 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.384 178.896 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.415 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 0.2 OUTLIER -64.65 -40.76 96.01 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.891 179.542 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.75 HD13 ' HB ' ' A' ' 48' ' ' ILE . 3.1 mt -55.1 -34.95 64.11 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.753 0.311 . . . . 0.0 110.354 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 17.0 mm -68.23 -33.48 60.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.648 178.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -76.2 -40.83 51.33 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.802 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -57.9 -31.82 67.13 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.373 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.402 ' CB ' ' HG ' ' A' ' 72' ' ' LEU . 8.0 t -61.18 109.85 1.23 Allowed 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.745 0.307 . . . . 0.0 110.864 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -97.82 29.4 3.42 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.311 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 165.54 -90.38 0.1 Allowed Glycine 0 C--N 1.336 0.582 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.451 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.93 135.04 33.44 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.965 0.412 . . . . 0.0 111.545 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.861 HD12 ' CE2' ' B' ' 14' ' ' TYR . 0.4 OUTLIER -117.69 146.08 43.97 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.623 179.662 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.5 mttp -125.97 133.92 51.67 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.648 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.471 ' HG3' HG23 ' A' ' 48' ' ' ILE . 0.4 OUTLIER -143.68 126.87 16.57 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.77 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 32.5 t -108.18 116.24 51.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.894 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.687 HG12 ' HA ' ' A' ' 45' ' ' VAL . 28.5 m -121.01 167.13 14.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.777 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -125.67 144.65 50.51 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.056 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.8 mtt180 -112.48 53.24 0.74 Allowed 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t0 64.59 167.55 0.17 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.981 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -173.07 152.96 2.42 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.329 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -145.01 -176.96 5.3 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.085 179.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.336 -0.84 . . . . 0.0 111.645 179.974 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 120.515 0.198 . . . . 0.0 111.247 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.13 120.33 41.95 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.009 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . 0.691 HG11 ' CD1' ' A' ' 39' ' ' ILE . 21.3 t -103.57 130.36 54.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.981 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 1.3 m -128.68 105.83 8.53 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.786 0.327 . . . . 0.0 110.734 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 85.2 mt -98.14 158.76 15.36 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 22.8 t -130.68 101.59 5.8 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 CA-C-O 120.975 0.417 . . . . 0.0 111.224 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.464 ' HB2' ' CE1' ' B' ' 14' ' ' TYR . 0.6 OUTLIER -85.97 127.64 34.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.061 179.822 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 47.5 t -125.34 4.66 7.72 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.727 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 52.72 36.76 21.93 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 120.925 0.393 . . . . 0.0 111.075 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 28.2 tttt -75.26 -35.92 61.31 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.154 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -165.15 -41.9 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.602 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -138.77 134.93 34.12 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.216 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -76.33 -164.05 0.36 Allowed 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.834 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . 0.861 ' CE2' HD12 ' A' ' 72' ' ' LEU . 45.2 m-85 -52.87 -43.45 66.12 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.253 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.88 40.45 90.21 Favored Glycine 0 C--N 1.337 0.6 0 C-N-CA 121.223 -0.513 . . . . 0.0 112.969 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.715 HD23 ' HB3' ' B' ' 14' ' ' TYR . 2.7 pp -106.03 120.28 41.37 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.974 0.416 . . . . 0.0 110.951 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.514 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -76.27 111.51 11.78 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.6 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.661 HD11 ' CG2' ' A' ' 22' ' ' ILE . 0.2 OUTLIER -97.04 141.04 30.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.289 -179.456 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.516 ' N ' HD13 ' B' ' 18' ' ' LEU . . . -144.48 166.37 25.33 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.962 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.548 ' HB3' HD13 ' A' ' 58' ' ' LEU . 79.4 p -130.84 149.79 52.31 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.875 0.369 . . . . 0.0 111.596 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' HIS . . . . . 0.436 ' HD2' ' CE1' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -115.12 179.95 3.81 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.772 179.802 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.751 HG23 HD11 ' A' ' 18' ' ' LEU . 31.1 mm -133.58 139.92 47.82 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 CA-C-O 120.725 0.298 . . . . 0.0 111.375 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.419 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 10.2 p90 -149.62 176.75 10.37 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.092 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.9 t -100.75 113.46 36.72 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.026 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.511 ' HB2' ' HB2' ' A' ' 19' ' ' ALA . 9.7 tptp -65.64 -34.71 78.86 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.425 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -177.82 173.12 1.61 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.79 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 3.1 mp -137.5 136.35 46.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.917 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 1.5 m -79.8 155.81 27.7 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.196 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -79.15 158.9 27.64 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.867 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 58.78 30.62 20.27 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.243 -179.577 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 3.2 m -109.92 172.02 7.11 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.975 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.874 HD12 ' HA ' ' A' ' 14' ' ' TYR . 4.4 mt -59.18 -42.45 90.88 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.848 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.558 ' HB1' ' HB ' ' B' ' 39' ' ' ILE . . . -65.39 -43.71 89.78 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.156 179.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.4 -37.18 77.35 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.137 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -79.55 -39.61 31.45 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.017 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.0 -35.39 80.56 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.409 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.83 37.01 91.98 Favored Glycine 0 C--N 1.336 0.532 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.457 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.706 ' HB3' HG13 ' A' ' 3' ' ' VAL . 2.7 m-80 -122.1 -45.84 2.22 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.454 0.169 . . . . 0.0 111.3 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . 0.558 ' HB ' ' HB1' ' B' ' 33' ' ' ALA . 31.6 mt -83.33 114.39 23.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -119.55 159.1 24.98 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.975 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -62.81 123.45 18.48 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.712 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.01 -18.1 50.48 Favored Glycine 0 CA--C 1.523 0.533 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.845 -179.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -55.09 117.98 3.94 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.778 0.323 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.2 t -85.7 113.92 24.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.0 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . 0.449 ' HA ' HG12 ' B' ' 76' ' ' VAL . 18.6 t -88.7 121.73 39.25 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -89.49 -47.14 8.19 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.708 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . 0.432 ' HG3' ' HA ' ' B' ' 52' ' ' VAL . 0.0 OUTLIER -135.5 155.88 49.8 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.164 -179.823 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.61 HG22 HD22 ' B' ' 49' ' ' ASN . 29.8 mt -132.82 123.18 48.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.927 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . 0.61 HD22 HG22 ' B' ' 48' ' ' ILE . 12.8 p30 43.79 40.87 3.36 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.065 0.546 . . . . 0.0 111.683 -179.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.57 35.3 36.98 Favored Glycine 0 CA--C 1.521 0.455 0 C-N-CA 120.907 -0.664 . . . . 0.0 113.05 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.37 123.25 12.71 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.763 0.282 . . . . 0.0 110.319 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.652 HG12 ' H ' ' B' ' 54' ' ' GLU . 10.2 t -67.1 132.98 32.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.528 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.43 18.83 21.06 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.531 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . 0.652 ' H ' HG12 ' B' ' 52' ' ' VAL . 0.0 OUTLIER -80.98 150.76 28.79 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.345 179.158 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . 0.764 ' HA ' HD22 ' A' ' 58' ' ' LEU . 5.3 p30 55.63 13.69 1.06 Allowed 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.477 -179.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 1.7 ttm -95.18 139.2 31.84 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.609 0.242 . . . . 0.0 110.64 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 2.9 m -60.56 144.72 50.94 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.712 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 58.1 tp -53.84 -32.92 54.6 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.851 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.51 -41.94 65.36 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.518 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -60.09 -40.11 88.46 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.534 179.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.73 -37.9 74.38 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 5.9 mmmt -60.85 -34.08 74.04 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.649 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.41 -40.04 95.01 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.087 179.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 2.9 mt -55.7 -34.59 65.21 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.828 0.347 . . . . 0.0 110.52 179.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . 0.625 ' HA ' HD11 ' B' ' 72' ' ' LEU . 37.5 mt -72.1 -32.24 42.78 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.905 179.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -76.98 -48.42 18.07 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.785 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -16.68 61.01 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.76 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 31.3 t -50.36 114.6 1.16 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.737 0.303 . . . . 0.0 111.108 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.56 75.24 3.27 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.602 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 85.61 -90.89 1.67 Allowed Glycine 0 C--N 1.333 0.405 0 C-N-CA 121.001 -0.618 . . . . 0.0 112.771 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . 0.499 ' HG2' HG22 ' A' ' 6' ' ' VAL . 0.9 OUTLIER -77.94 147.68 34.86 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.747 0.308 . . . . 0.0 111.278 -179.836 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.735 HD12 ' CE1' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -124.78 129.53 50.63 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.963 179.848 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -106.47 132.68 52.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.435 179.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 4.5 mtp -133.25 119.09 19.36 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.822 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 25.3 t -99.02 117.57 44.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.979 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.449 HG12 ' HA ' ' B' ' 45' ' ' VAL . 27.8 m -117.19 167.75 9.84 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.402 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -96.37 119.58 35.11 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.959 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -158.64 -73.06 0.08 Allowed 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.88 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -137.42 81.63 1.88 Allowed 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.23 0.538 . . . . 0.0 110.847 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -85.31 140.82 30.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.974 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 8.6 tp -151.74 38.12 0.6 Allowed 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.075 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.252 1.192 0 CA-C-O 118.813 -0.613 . . . . 0.0 111.632 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.461 ' HB ' HG23 ' B' ' 76' ' ' VAL . 1.2 p . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 120.704 0.288 . . . . 0.0 111.541 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.85 131.34 46.78 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.671 179.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.884 HG11 HD11 ' B' ' 39' ' ' ILE . 22.8 t -110.52 123.1 66.12 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.031 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.42 HG21 ' HE3' ' B' ' 71' ' ' LYS . 8.9 m -128.93 107.2 9.44 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.856 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.6 mt -104.94 138.57 40.96 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.409 ' O ' HD22 ' B' ' 32' ' ' LEU . 22.5 t -110.29 101.78 13.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-O 120.863 0.363 . . . . 0.0 111.189 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.461 ' HB2' ' CE1' ' A' ' 14' ' ' TYR . 1.8 ttmt -81.04 113.51 19.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.713 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.19 160.0 28.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.878 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 48.9 ttm-85 -55.44 -28.28 53.34 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.467 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.23 162.52 1.41 Allowed 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 120.663 0.268 . . . . 0.0 111.113 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -72.87 69.61 0.95 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.634 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -145.19 99.33 3.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.469 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -86.83 174.22 8.92 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.115 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.851 ' CE2' HD12 ' B' ' 72' ' ' LEU . 21.7 m-85 -64.29 -31.82 73.18 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.038 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.31 25.84 41.95 Favored Glycine 0 C--N 1.34 0.759 0 C-N-CA 121.274 -0.489 . . . . 0.0 113.375 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.785 HD23 ' HB3' ' A' ' 14' ' ' TYR . 2.7 pp -94.29 118.41 31.55 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.911 0.386 . . . . 0.0 110.802 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.499 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 8.1 mmt85 -73.48 116.75 14.42 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.589 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.766 HD11 ' CG2' ' B' ' 22' ' ' ILE . 0.5 OUTLIER -103.56 132.52 49.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.53 -179.212 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.606 ' N ' HD13 ' A' ' 18' ' ' LEU . . . -136.62 175.02 9.99 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.843 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.6 p -132.2 143.99 50.34 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.843 0.354 . . . . 0.0 111.75 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.439 ' HD2' ' CE1' ' B' ' 23' ' ' PHE . 0.1 OUTLIER -116.3 -179.72 3.75 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.927 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.6 ' CG2' HD11 ' B' ' 18' ' ' LEU . 23.3 mm -129.65 140.69 48.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.179 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.545 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 3.6 p90 -148.56 175.74 10.91 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.206 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.6 t -108.45 115.57 49.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.124 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.515 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 9.3 tptp -59.89 -45.25 93.12 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -175.33 174.8 2.3 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.014 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.468 HD11 ' CA ' ' A' ' 40' ' ' GLN . 2.0 mp -124.71 134.27 67.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.4 t -74.34 150.93 39.88 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.978 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -74.35 148.81 40.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.826 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 58.71 37.5 25.1 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.074 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.1 p -112.37 171.6 7.42 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.84 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.417 ' HB2' ' HA ' ' B' ' 14' ' ' TYR . 28.1 mt -60.59 -41.14 94.11 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.95 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.536 ' CB ' HD12 ' A' ' 39' ' ' ILE . . . -62.28 -43.58 98.51 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.039 179.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.09 -36.57 82.08 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.11 179.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -79.2 -42.19 26.61 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.626 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.29 -35.19 75.0 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.221 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.12 36.87 92.48 Favored Glycine 0 C--N 1.336 0.531 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.667 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.555 ' HB3' HG22 ' B' ' 3' ' ' VAL . 30.3 m-80 -118.45 -43.54 2.7 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.717 0.258 . . . . 0.0 111.35 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.868 HD11 HD11 ' B' ' 5' ' ' LEU . 12.6 mt -84.48 137.54 20.7 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.039 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.468 ' CA ' HD11 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -138.62 146.59 41.91 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.717 179.673 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.99 122.35 12.11 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.836 0.35 . . . . 0.0 110.731 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.23 -16.46 49.4 Favored Glycine 0 CA--C 1.523 0.545 0 C-N-CA 120.8 -0.714 . . . . 0.0 113.022 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.39 144.5 20.59 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.9 0.35 . . . . 0.0 111.135 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.5 t -109.86 99.28 8.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.183 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.0 t -77.79 126.54 38.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.331 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.423 HD12 ' HD2' ' A' ' 47' ' ' LYS . 0.2 OUTLIER -91.22 -45.18 8.78 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.114 179.809 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.671 ' HG3' HG22 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -129.51 155.26 46.05 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.995 0.426 . . . . 0.0 111.632 -179.604 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.606 HD12 HG21 ' A' ' 53' ' ' THR . 31.3 mt -137.49 121.84 23.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.389 179.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 57.28 33.61 23.55 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.208 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.46 33.55 34.66 Favored Glycine 0 CA--C 1.522 0.518 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.935 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.42 129.71 11.27 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.712 0.256 . . . . 0.0 110.773 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.694 HG12 ' H ' ' A' ' 54' ' ' GLU . 27.8 t -72.88 135.12 28.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.583 179.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.606 HG21 HD12 ' A' ' 48' ' ' ILE . 0.9 OUTLIER -108.35 28.49 8.27 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.366 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.694 ' H ' HG12 ' A' ' 52' ' ' VAL . 5.9 tt0 -84.88 143.85 28.77 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.966 179.041 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.611 ' HA ' HD22 ' B' ' 58' ' ' LEU . 3.1 m120 63.92 13.93 7.99 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.835 -179.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -98.59 -173.21 2.48 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 120.781 0.324 . . . . 0.0 110.951 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.95 151.34 21.0 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.709 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.486 HD13 ' HA ' ' B' ' 55' ' ' ASN . 12.9 tp -56.65 -29.79 62.66 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.711 179.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.88 -37.01 83.61 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.737 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -56.74 -45.21 82.13 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.832 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.53 -39.71 73.84 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.713 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -65.8 -35.76 81.6 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.905 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.21 -46.82 82.21 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.912 179.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.413 HD13 ' HB ' ' A' ' 48' ' ' ILE . 0.7 OUTLIER -56.24 -37.13 69.33 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.827 0.346 . . . . 0.0 110.588 179.66 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.3 mt -76.86 -30.07 18.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.73 179.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.53 -52.03 24.58 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-O 120.735 0.303 . . . . 0.0 110.972 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -60.38 -33.14 72.04 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.19 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.415 ' CB ' ' HG ' ' A' ' 72' ' ' LEU . 3.1 m -58.54 115.95 3.35 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.729 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.83 68.1 0.87 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.244 -179.377 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.458 ' HA2' ' HG3' ' B' ' 7' ' ' LYS . . . 135.68 -95.94 0.26 Allowed Glycine 0 C--N 1.333 0.379 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.837 179.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.418 ' HE3' HG21 ' B' ' 4' ' ' THR . 0.6 OUTLIER -90.0 115.58 27.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 0.0 111.353 -179.529 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.762 HD12 ' CE2' ' B' ' 14' ' ' TYR . 0.6 OUTLIER -99.66 149.18 23.56 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.751 179.578 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.408 ' HG3' HG23 ' B' ' 4' ' ' THR . 1.1 tttt -126.05 135.05 51.31 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.902 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.429 ' HG2' HG23 ' A' ' 48' ' ' ILE . 26.6 mtm -147.65 125.22 11.73 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.707 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.6 t -98.23 127.51 50.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.714 0.292 . . . . 0.0 111.174 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.423 HG12 ' N ' ' A' ' 77' ' ' GLN . 3.2 t -111.23 164.52 7.1 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.423 ' N ' HG12 ' A' ' 76' ' ' VAL . 35.6 mt-30 -93.18 119.83 32.81 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.706 0.289 . . . . 0.0 111.185 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -103.99 171.74 7.18 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.049 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -55.92 160.21 2.84 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.569 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.98 177.6 6.21 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.277 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -104.08 -62.02 1.37 Allowed 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.243 -0.884 . . . . 0.0 111.369 -179.95 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' THR . . . . . 0.402 ' HB ' ' HB ' ' A' ' 76' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 120.653 0.263 . . . . 0.0 111.027 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -89.75 120.04 30.67 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . 0.555 HG22 ' HB3' ' A' ' 38' ' ' ASN . 59.5 t -103.55 121.04 54.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.038 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.418 HG21 ' HE3' ' A' ' 71' ' ' LYS . 0.3 OUTLIER -128.27 105.75 8.56 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.068 179.834 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.868 HD11 HD11 ' A' ' 39' ' ' ILE . 58.0 mt -94.58 159.19 15.2 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.488 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 20.3 t -137.95 101.53 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-O 120.923 0.392 . . . . 0.0 111.305 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.458 ' HG3' ' HA2' ' A' ' 70' ' ' GLY . 0.8 OUTLIER -88.53 136.87 32.78 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.797 179.685 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -171.26 160.15 6.1 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.088 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.76 -171.91 0.16 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.363 179.533 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.7 142.56 57.15 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.745 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 62.44 52.06 3.12 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.051 0.453 . . . . 0.0 110.607 -179.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . 0.455 ' HB2' ' HB2' ' B' ' 7' ' ' LYS . 18.7 pt-20 -91.2 42.6 1.11 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.212 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -97.52 126.45 42.8 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.55 179.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . 0.762 ' CE2' HD12 ' A' ' 72' ' ' LEU . 71.6 m-85 -58.82 -32.46 69.4 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.935 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.08 46.38 93.84 Favored Glycine 0 C--N 1.337 0.619 0 C-N-CA 121.313 -0.47 . . . . 0.0 113.111 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.571 HD23 ' HB3' ' B' ' 14' ' ' TYR . 3.2 pp -121.3 127.92 51.81 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.834 0.35 . . . . 0.0 111.076 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.515 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 4.1 mmt180 -85.09 112.79 20.98 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.59 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.697 HD13 ' N ' ' B' ' 19' ' ' ALA . 1.0 OUTLIER -100.05 135.74 41.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.434 -179.556 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.697 ' N ' HD13 ' B' ' 18' ' ' LEU . . . -141.24 167.59 21.82 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.573 179.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.403 ' OG ' ' HA ' ' B' ' 55' ' ' ASN . 58.4 p -121.59 151.05 40.81 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.018 0.437 . . . . 0.0 111.702 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' HIS . . . . . 0.455 ' HD2' ' CE1' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -122.4 177.94 5.17 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.795 179.916 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.766 ' CG2' HD11 ' A' ' 18' ' ' LEU . 32.6 mm -130.65 143.09 41.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.082 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 7.8 p90 -149.45 178.62 8.64 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.254 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.501 HG21 HG23 ' B' ' 39' ' ' ILE . 39.9 t -105.09 110.86 32.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.012 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.499 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 4.6 tttp -62.18 -38.44 89.08 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -171.18 172.59 5.27 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.848 0.356 . . . . 0.0 111.052 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . 0.527 HD11 ' C ' ' B' ' 40' ' ' GLN . 2.9 mp -130.12 133.61 64.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 2.2 m -70.16 154.56 41.77 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.237 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -81.82 143.12 31.97 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.95 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 57.44 31.76 20.73 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.154 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.58 174.48 5.88 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.953 0.406 . . . . 0.0 110.817 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.409 HD22 ' O ' ' A' ' 6' ' ' VAL . 21.8 mt -57.31 -37.11 71.97 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.37 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.567 ' HB1' ' HB ' ' B' ' 39' ' ' ILE . . . -66.66 -40.44 88.62 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.682 -0.236 . . . . 0.0 111.011 179.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.14 -45.14 86.22 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.0 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -64.34 -37.64 88.23 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.738 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.15 -35.95 66.56 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.132 179.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.25 29.57 71.95 Favored Glycine 0 C--N 1.334 0.454 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.543 -179.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.633 ' HB3' HG22 ' A' ' 3' ' ' VAL . 2.9 m-80 -107.99 -31.74 7.85 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 111.591 0.219 . . . . 0.0 111.591 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . 0.884 HD11 HG11 ' A' ' 3' ' ' VAL . 29.3 mm -89.46 129.46 40.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-O 120.695 0.283 . . . . 0.0 111.254 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.527 ' C ' HD11 ' B' ' 27' ' ' ILE . 6.2 tt0 -129.65 153.68 47.87 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -61.06 112.87 2.26 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.738 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.56 -13.77 56.6 Favored Glycine 0 CA--C 1.523 0.558 0 C-N-CA 120.865 -0.683 . . . . 0.0 113.036 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.64 127.63 28.91 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.904 0.352 . . . . 0.0 111.094 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 29.0 t -86.63 133.89 28.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.563 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 23.8 t -108.47 118.89 57.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.843 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.15 -46.3 8.92 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.178 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 11.1 mtmt -124.93 153.75 42.21 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.84 0.352 . . . . 0.0 111.341 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.675 HG22 ' ND2' ' B' ' 49' ' ' ASN . 25.6 mt -142.46 124.4 12.9 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.484 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . 0.675 ' ND2' HG22 ' B' ' 48' ' ' ILE . 64.6 m-80 57.18 32.3 21.49 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.371 -179.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.28 26.09 62.37 Favored Glycine 0 CA--C 1.522 0.486 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.741 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 2.3 m -139.5 138.44 36.36 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.688 0.28 . . . . 0.0 110.74 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.657 HG12 ' H ' ' B' ' 54' ' ' GLU . 23.2 t -68.07 140.95 18.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.482 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.9 27.38 8.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.253 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . 0.657 ' H ' HG12 ' B' ' 52' ' ' VAL . 0.1 OUTLIER -90.49 150.47 21.78 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 120.731 0.3 . . . . 0.0 110.418 179.108 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . 0.486 ' HA ' HD13 ' A' ' 58' ' ' LEU . 7.3 p30 52.0 17.35 0.65 Allowed 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.39 -179.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -100.67 164.18 11.99 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.744 0.307 . . . . 0.0 110.745 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 5.8 t -72.37 143.14 48.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.696 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.611 HD22 ' HA ' ' A' ' 55' ' ' ASN . 55.0 tp -56.3 -33.34 65.44 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.708 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.51 -40.38 92.95 Favored 'General case' 0 CA--C 1.527 0.089 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.471 179.462 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.76 -38.53 67.31 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.48 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.51 -39.75 94.35 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.9 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.2 -36.39 83.48 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.242 179.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.1 -40.91 97.46 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.924 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.66 HD13 ' HB ' ' B' ' 48' ' ' ILE . 11.9 mt -56.79 -34.73 67.94 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.794 0.33 . . . . 0.0 110.266 179.386 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 38.6 mt -70.41 -30.5 43.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.593 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -74.83 -38.25 62.08 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 120.809 0.337 . . . . 0.0 110.583 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -27.93 68.87 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.577 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 26.5 p -60.43 116.58 4.41 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.993 0.425 . . . . 0.0 111.064 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 3.0 mtmm -100.31 35.63 2.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.006 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 137.86 -75.34 0.38 Allowed Glycine 0 C--N 1.333 0.383 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.48 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . 0.42 ' HE3' HG21 ' A' ' 4' ' ' THR . 7.7 tttp -83.22 123.26 29.4 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.883 0.373 . . . . 0.0 111.195 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.851 HD12 ' CE2' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -117.02 132.06 56.79 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.623 179.662 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 2.5 mttp -112.22 136.3 51.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.702 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.581 ' HG2' HG23 ' B' ' 48' ' ' ILE . 19.8 mtm -144.95 121.04 10.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.549 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 19.8 t -97.75 124.04 50.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.265 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.461 HG23 ' HB ' ' A' ' 1' ' ' THR . 31.0 m -113.08 165.07 8.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.34 -179.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -106.91 152.48 23.87 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.374 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 26.0 mtp180 -71.43 173.44 7.89 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.323 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -105.5 81.27 1.67 Allowed 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.896 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -120.05 151.28 39.24 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 2.0 mt -72.98 172.4 11.04 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.263 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 . . . . . 0 C--O 1.252 1.185 0 CA-C-O 118.36 -0.828 . . . . 0.0 111.084 179.876 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.493 ' HA ' ' HB ' ' B' ' 76' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 111.275 0.102 . . . . 0.0 111.275 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -75.63 124.35 27.08 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.8 0.333 . . . . 0.0 110.83 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.799 HG13 ' HB2' ' B' ' 38' ' ' ASN . 16.0 t -120.58 129.66 75.36 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.123 -179.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.0 m -127.71 119.27 25.44 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.793 0.33 . . . . 0.0 111.058 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.519 HD22 ' N ' ' A' ' 5' ' ' LEU . 2.8 mm? -115.06 158.72 21.74 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.0 t -132.08 101.55 4.95 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.054 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.425 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 8.4 ttmt -79.79 142.29 35.48 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.15 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.9 t -78.57 178.17 8.0 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.06 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -78.85 -67.0 0.79 Allowed 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.804 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.88 -32.54 73.1 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.396 179.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -98.34 122.34 41.39 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.713 0.292 . . . . 0.0 110.692 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -126.99 65.92 1.28 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.968 0.413 . . . . 0.0 111.168 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -140.87 106.53 5.1 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.271 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.592 ' HA ' HD12 ' B' ' 32' ' ' LEU . 74.3 m-85 -75.59 -25.82 57.35 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.299 179.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.8 38.74 89.74 Favored Glycine 0 C--N 1.337 0.633 0 C-N-CA 121.147 -0.549 . . . . 0.0 112.985 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.581 HD12 ' O ' ' A' ' 16' ' ' LEU . 3.3 pp -128.52 135.61 49.65 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.838 0.352 . . . . 0.0 110.985 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.618 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.6 OUTLIER -93.45 122.95 36.41 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.695 179.765 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.606 HD11 ' CG2' ' B' ' 22' ' ' ILE . 0.2 OUTLIER -101.57 140.97 35.14 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.49 -179.595 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.474 ' HB3' ' CZ ' ' B' ' 23' ' ' PHE . . . -147.33 165.49 30.0 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.855 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.423 ' OG ' ' HA ' ' A' ' 55' ' ' ASN . 81.6 p -131.73 151.8 51.38 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.978 0.418 . . . . 0.0 111.666 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.402 ' HD2' ' CE1' ' B' ' 23' ' ' PHE . 0.1 OUTLIER -121.19 179.14 4.49 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.863 179.844 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.742 ' CG2' HD11 ' B' ' 18' ' ' LEU . 35.0 mm -130.54 142.15 44.44 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.998 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.539 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 6.4 p90 -149.68 176.61 10.52 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.199 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.448 HG21 HG23 ' A' ' 39' ' ' ILE . 24.9 t -103.66 111.17 32.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.784 179.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.47 ' HB3' ' HG2' ' B' ' 17' ' ' ARG . 6.1 tptt -60.39 -37.25 80.18 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.379 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.428 ' HG2' ' CB ' ' B' ' 17' ' ' ARG . 1.1 pt-20 -179.55 171.56 1.22 Allowed 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.738 0.304 . . . . 0.0 111.085 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.42 ' CG2' ' HB3' ' A' ' 33' ' ' ALA . 3.3 mp -126.07 136.85 59.59 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.978 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.4 m -75.64 156.27 35.03 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.22 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -80.78 149.74 29.5 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.954 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 58.18 33.87 23.58 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.139 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.9 p -108.24 174.57 5.82 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.119 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.489 HD11 ' HA ' ' B' ' 7' ' ' LYS . 8.8 mt -61.57 -41.41 97.35 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.934 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.422 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -63.7 -41.06 98.17 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.887 179.394 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.88 -37.51 82.41 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.952 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.69 -42.35 41.99 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.127 179.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.96 -36.96 85.68 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.237 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.2 33.01 77.21 Favored Glycine 0 C--N 1.336 0.552 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.747 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.558 ' CB ' HG13 ' B' ' 3' ' ' VAL . 6.1 m-80 -112.67 -39.17 4.39 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 120.442 0.163 . . . . 0.0 111.325 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.807 HD11 HG11 ' B' ' 3' ' ' VAL . 19.4 mm -85.3 126.35 40.4 Favored 'Isoleucine or valine' 0 C--O 1.232 0.145 0 CA-C-O 120.697 0.284 . . . . 0.0 110.935 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -129.44 153.94 47.45 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.922 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -58.73 124.99 21.6 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.958 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.59 -9.77 73.47 Favored Glycine 0 CA--C 1.523 0.593 0 C-N-CA 120.869 -0.681 . . . . 0.0 113.324 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -56.94 121.15 9.24 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 117.198 0.499 . . . . 0.0 110.865 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.7 t -83.5 120.83 35.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.944 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.651 HG22 HG12 ' A' ' 76' ' ' VAL . 23.5 t -91.35 134.06 31.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.263 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -106.48 -39.48 5.86 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.135 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -138.41 155.99 47.99 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.93 0.395 . . . . 0.0 111.455 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.673 ' HB ' HD13 ' A' ' 64' ' ' LEU . 23.9 mt -142.57 123.97 12.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.517 179.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 57.81 33.37 23.13 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.202 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.2 32.67 51.58 Favored Glycine 0 C--N 1.337 0.614 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.735 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.3 m -145.27 143.56 30.29 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.698 0.249 . . . . 0.0 110.904 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.494 HG12 ' H ' ' A' ' 54' ' ' GLU . 16.7 t -77.11 139.42 18.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.64 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.495 HG21 HD12 ' A' ' 48' ' ' ILE . 0.7 OUTLIER -122.66 35.85 4.78 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.433 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.494 ' H ' HG12 ' A' ' 52' ' ' VAL . 0.2 OUTLIER -93.49 142.75 26.98 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.753 0.311 . . . . 0.0 110.236 179.237 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.568 ' HB3' HD22 ' B' ' 58' ' ' LEU . 8.4 m-20 62.77 14.05 6.98 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.738 -0.664 . . . . 0.0 112.063 -179.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.1 tpp -96.24 161.23 14.04 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.735 0.302 . . . . 0.0 110.841 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.49 145.66 49.04 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.635 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.64 HD11 ' HA ' ' B' ' 19' ' ' ALA . 13.8 tp -54.98 -32.63 61.82 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.979 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.3 -38.47 87.82 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.673 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -57.29 -46.0 83.59 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.744 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.76 -37.17 73.18 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.005 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.9 mmtt -65.95 -37.44 86.03 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.653 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.13 -44.37 92.04 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.188 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.673 HD13 ' HB ' ' A' ' 48' ' ' ILE . 1.8 mt -56.49 -36.77 69.5 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.766 0.317 . . . . 0.0 110.418 179.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 33.3 mt -73.56 -30.64 30.19 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.932 179.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -76.78 -48.54 18.31 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.019 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.59 -28.63 65.75 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.357 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.4 m -58.17 104.5 0.21 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.857 0.36 . . . . 0.0 111.186 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.3 mttm -66.44 -35.55 80.58 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.401 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.503 ' O ' ' HG2' ' B' ' 7' ' ' LYS . . . -152.85 -95.86 0.12 Allowed Glycine 0 C--N 1.337 0.6 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.893 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.618 ' HG2' HG22 ' B' ' 6' ' ' VAL . 12.9 mttt -60.37 123.63 17.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.753 0.311 . . . . 0.0 111.336 -179.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.853 HD12 ' CZ ' ' B' ' 14' ' ' TYR . 0.6 OUTLIER -109.63 148.62 31.0 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.955 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -125.51 129.57 50.02 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.735 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.443 ' HE3' HD12 ' A' ' 39' ' ' ILE . 0.6 OUTLIER -139.52 126.49 20.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.677 179.881 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 24.5 t -100.01 110.96 28.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.774 0.321 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.651 HG12 HG22 ' A' ' 45' ' ' VAL . 28.2 m -121.5 173.79 6.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.474 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -120.73 128.28 52.79 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.605 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.46 89.91 0.15 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.027 0.441 . . . . 0.0 110.55 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.28 105.44 14.85 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.041 -179.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.97 117.14 29.32 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.678 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.4 mt -101.71 123.0 44.97 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.875 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.837 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 120.682 0.277 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.79 125.81 52.35 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.97 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . 0.807 HG11 HD11 ' A' ' 39' ' ' ILE . 17.5 t -106.59 127.87 61.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.804 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 18.9 m -128.34 116.69 20.19 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.874 0.369 . . . . 0.0 111.13 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.512 HD22 ' N ' ' B' ' 5' ' ' LEU . 3.0 mm? -110.52 160.24 16.81 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.455 179.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . 0.618 HG22 ' HG2' ' A' ' 71' ' ' LYS . 21.8 t -136.74 100.01 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.225 0 CA-C-O 120.742 0.306 . . . . 0.0 111.31 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.503 ' HG2' ' O ' ' A' ' 70' ' ' GLY . 10.3 ptmm? -73.27 96.23 2.26 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.178 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 10.8 p 179.46 136.79 0.1 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.1 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.52 129.94 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.151 179.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 9.7 tttp 72.68 -65.69 0.34 Allowed 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.026 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -138.99 122.49 17.29 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.595 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -96.72 25.44 5.21 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.31 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -136.85 135.83 38.23 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.786 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . 0.853 ' CZ ' HD12 ' A' ' 72' ' ' LEU . 6.6 m-85 -74.69 -31.6 61.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.941 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.54 44.81 95.25 Favored Glycine 0 C--N 1.338 0.685 0 C-N-CA 121.106 -0.569 . . . . 0.0 112.941 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.502 HD23 ' CB ' ' B' ' 14' ' ' TYR . 2.5 pp -115.04 118.57 33.77 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.045 0.45 . . . . 0.0 110.863 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.47 ' HG2' ' HB3' ' A' ' 25' ' ' LYS . 16.7 tpp180 -74.76 115.5 14.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.323 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.742 HD11 ' CG2' ' A' ' 22' ' ' ILE . 1.1 tm? -98.99 124.68 44.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.228 -179.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.64 ' HA ' HD11 ' A' ' 58' ' ' LEU . . . -129.24 169.88 14.27 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.775 179.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 89.4 p -129.68 152.83 48.76 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.965 0.412 . . . . 0.0 111.497 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' HIS . . . . . 0.425 ' HD2' ' CE1' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -120.97 179.02 4.5 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.502 179.653 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.606 ' CG2' HD11 ' A' ' 18' ' ' LEU . 26.3 mm -132.86 141.96 43.58 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-O 120.746 0.308 . . . . 0.0 111.339 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 11.2 p90 -149.54 -179.55 7.18 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.238 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.489 HG21 HG23 ' B' ' 39' ' ' ILE . 22.4 t -105.62 112.7 40.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.915 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.618 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 11.0 tptt -62.34 -37.79 87.0 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.291 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -175.85 173.47 2.31 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.054 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . 0.472 HD12 ' HG3' ' B' ' 41' ' ' GLU . 3.4 mp -140.53 135.35 35.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.477 179.621 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 52.6 p -85.69 143.87 28.13 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.896 0.379 . . . . 0.0 110.846 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -71.41 161.17 31.48 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.926 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 58.49 30.86 20.31 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.081 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 34.3 m -115.85 176.87 4.89 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.678 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.592 HD12 ' HA ' ' A' ' 14' ' ' TYR . 61.0 mt -57.17 -38.77 74.08 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.035 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.73 ' HB2' HD12 ' B' ' 39' ' ' ILE . . . -68.04 -42.62 80.29 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.318 179.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.47 -45.82 92.35 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.935 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.38 -34.64 74.85 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.535 179.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -70.11 -40.67 74.76 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.244 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.25 30.72 69.25 Favored Glycine 0 C--N 1.335 0.481 0 C-N-CA 121.05 -0.595 . . . . 0.0 113.095 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.799 ' HB2' HG13 ' A' ' 3' ' ' VAL . 68.8 m-20 -116.89 -37.85 3.53 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.889 0.345 . . . . 0.0 111.777 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . 0.73 HD12 ' HB2' ' B' ' 33' ' ' ALA . 22.8 mt -85.14 123.58 39.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-O 120.662 0.268 . . . . 0.0 110.955 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -129.48 153.68 47.74 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.472 ' HG3' HD12 ' B' ' 27' ' ' ILE . 0.9 OUTLIER -61.94 121.94 14.22 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.741 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.75 -18.04 48.06 Favored Glycine 0 CA--C 1.522 0.494 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.968 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -56.29 131.12 47.19 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.85 0.325 . . . . 0.0 111.059 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.9 t -100.87 116.85 45.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.695 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 32.9 t -94.86 131.32 42.01 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.179 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.2 pp -103.5 -37.27 7.65 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.441 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -130.61 147.79 52.33 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.734 0.302 . . . . 0.0 110.906 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 23.4 mt -135.38 112.16 13.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.725 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 60.43 34.55 20.54 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.205 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.07 28.1 46.82 Favored Glycine 0 C--N 1.336 0.571 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.928 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -139.11 122.09 16.71 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.841 0.321 . . . . 0.0 110.692 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.629 HG12 ' H ' ' B' ' 54' ' ' GLU . 15.4 t -61.4 142.28 16.38 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.47 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.427 ' CG2' HG13 ' B' ' 22' ' ' ILE . 0.2 OUTLIER -118.81 25.08 10.47 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.436 -179.808 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . 0.629 ' H ' HG12 ' B' ' 52' ' ' VAL . 0.0 OUTLIER -88.62 148.52 24.01 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 179.456 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . 0.58 ' HB2' HD22 ' A' ' 58' ' ' LEU . 7.6 p30 52.05 18.52 0.85 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.341 -179.487 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 1.7 ttm -99.52 153.3 19.14 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 120.602 0.239 . . . . 0.0 110.656 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 5.8 p -66.12 145.24 56.06 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.626 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.568 HD22 ' HB3' ' A' ' 55' ' ' ASN . 18.1 tp -56.18 -31.75 63.7 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.78 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.08 -37.79 88.65 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.72 179.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -56.61 -46.09 81.09 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.807 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.23 -38.95 74.54 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.781 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -64.89 -36.98 86.11 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.601 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.17 -40.81 98.63 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.966 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 5.2 mt -56.64 -34.43 67.29 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.738 0.304 . . . . 0.0 110.609 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 32.0 mt -73.78 -29.73 26.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 179.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -78.69 -46.56 18.8 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.629 0.252 . . . . 0.0 110.816 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 67.1 ttp85 -62.24 -20.92 64.73 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.62 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 52.8 p -51.43 108.94 0.3 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 121.033 0.444 . . . . 0.0 110.922 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -31.14 72.0 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.155 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -169.39 -70.81 0.04 OUTLIER Glycine 0 C--N 1.336 0.562 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.372 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 8.2 ptpt -87.42 134.85 33.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.832 0.348 . . . . 0.0 111.085 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.41 HD12 ' CZ ' ' A' ' 14' ' ' TYR . 0.6 OUTLIER -111.48 141.65 44.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.691 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -125.37 134.06 52.32 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.905 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 1.4 mpp? -129.12 152.52 48.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.711 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 20.1 t -124.57 111.38 28.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.188 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.493 ' HB ' ' HA ' ' A' ' 1' ' ' THR . 2.4 t -100.46 157.35 4.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.238 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.93 162.91 13.88 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.203 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 54.9 mtm180 -58.07 -75.64 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.247 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -172.06 -178.56 2.15 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.641 0.258 . . . . 0.0 111.022 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.14 56.08 0.29 Allowed 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.115 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 5.7 tt -101.0 154.16 18.93 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.81 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 . . . . . 0 C--O 1.252 1.196 0 CA-C-O 118.662 -0.685 . . . . 0.0 111.139 179.795 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 120.707 0.289 . . . . 0.0 111.642 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.675 ' HG2' HG22 ' B' ' 75' ' ' VAL . 0.0 OUTLIER -112.91 136.22 52.8 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.723 179.806 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.744 HG11 ' CD1' ' B' ' 39' ' ' ILE . 12.0 t -103.68 131.32 52.54 Favored 'Isoleucine or valine' 0 C--O 1.231 0.114 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.974 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.406 HG23 ' HG3' ' B' ' 73' ' ' LYS . 4.1 m -129.1 105.86 8.46 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-O 120.831 0.348 . . . . 0.0 111.116 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.492 HD22 ' N ' ' A' ' 5' ' ' LEU . 2.7 mm? -94.34 157.83 15.85 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.872 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.419 ' O ' HD22 ' B' ' 32' ' ' LEU . 20.1 t -132.85 102.79 5.4 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 CA-C-O 120.942 0.401 . . . . 0.0 111.257 179.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -91.18 129.5 37.17 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.672 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.19 -50.85 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.976 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.0 ptt180 -56.25 138.13 50.89 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.044 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.4 pttp -93.32 33.82 1.19 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.083 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -107.79 -36.78 6.31 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.022 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -160.2 144.09 14.15 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.881 0.372 . . . . 0.0 111.206 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.56 -170.73 3.25 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.987 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.768 ' HB3' HD23 ' A' ' 16' ' ' LEU . 65.6 m-85 -51.35 -40.18 58.59 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.833 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.96 46.91 90.64 Favored Glycine 0 C--N 1.337 0.628 0 CA-C-N 116.058 -0.519 . . . . 0.0 113.349 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.768 HD23 ' HB3' ' A' ' 14' ' ' TYR . 3.0 pp -122.92 122.13 37.86 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.91 0.386 . . . . 0.0 110.936 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.507 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -79.26 112.41 16.46 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.538 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.757 HD11 ' CG2' ' B' ' 22' ' ' ILE . 0.2 OUTLIER -96.42 139.65 32.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.53 -179.356 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.49 ' N ' HD13 ' A' ' 18' ' ' LEU . . . -142.82 164.94 28.73 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.053 179.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.404 ' HB3' HD12 ' B' ' 58' ' ' LEU . 54.2 p -126.96 152.64 46.9 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.966 0.412 . . . . 0.0 111.465 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.507 ' HE1' HD11 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -120.99 176.1 5.73 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.818 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.79 ' CG2' HD11 ' B' ' 18' ' ' LEU . 26.1 mm -132.2 140.69 47.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.389 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.483 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 12.5 p90 -149.49 179.92 7.59 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.22 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -106.09 113.48 42.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.976 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.512 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 9.7 tptt -63.63 -38.06 89.67 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.195 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -175.3 173.08 2.6 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.854 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.426 ' CG2' ' HB3' ' A' ' 33' ' ' ALA . 3.6 mp -136.86 138.22 46.3 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.907 179.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.6 m -84.35 149.09 26.27 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.117 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -77.17 158.98 30.06 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.114 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 57.98 31.24 20.36 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.304 -179.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.16 178.14 4.39 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.853 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.501 HD22 ' O ' ' B' ' 6' ' ' VAL . 80.7 mt -58.4 -35.96 72.83 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.968 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.426 ' HB3' ' CG2' ' A' ' 27' ' ' ILE . . . -68.98 -38.53 79.39 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.244 179.293 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.08 -48.63 73.06 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.158 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.96 -40.8 97.26 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.896 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -68.89 -41.58 78.11 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.163 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.79 37.17 93.15 Favored Glycine 0 CA--C 1.521 0.447 0 C-N-CA 121.116 -0.564 . . . . 0.0 112.97 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.686 ' CB ' HG13 ' B' ' 3' ' ' VAL . 22.6 m-80 -120.42 4.84 10.7 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.605 HD11 HD21 ' B' ' 5' ' ' LEU . 3.7 mt -128.04 131.19 69.69 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-O 120.618 0.247 . . . . 0.0 111.033 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 -123.32 157.77 32.49 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -62.41 118.43 7.5 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.764 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.89 -1.18 55.21 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 120.966 -0.635 . . . . 0.0 113.279 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.35 134.12 56.72 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 117.167 0.483 . . . . 0.0 110.905 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 36.5 t -97.08 115.07 35.71 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.021 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 20.1 t -90.45 128.4 42.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.337 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.507 HD11 ' HE1' ' A' ' 21' ' ' HIS . 3.8 mp -102.79 -43.52 5.54 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.013 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.61 152.22 51.71 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.776 0.322 . . . . 0.0 111.554 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.412 HG22 ' ND2' ' A' ' 49' ' ' ASN . 25.5 mt -139.08 125.37 23.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.806 179.47 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.412 ' ND2' HG22 ' A' ' 48' ' ' ILE . 18.5 p30 44.13 37.52 1.9 Allowed 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.905 -179.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.72 37.5 22.92 Favored Glycine 0 C--N 1.338 0.645 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.766 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.2 m -145.58 126.11 14.13 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.559 0.219 . . . . 0.0 110.615 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.1 t -62.44 144.15 14.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.566 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.754 HG22 HG13 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -125.44 53.94 1.51 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.048 0.451 . . . . 0.0 110.873 -179.818 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.8 138.36 53.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.233 179.34 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.695 ' HA ' HD13 ' B' ' 58' ' ' LEU . 4.2 m-20 70.57 5.03 5.22 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.97 -179.505 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.9 ttm -91.59 159.94 15.65 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.767 0.318 . . . . 0.0 111.015 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 79.5 p -75.44 148.67 38.91 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.782 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 30.1 tp -56.42 -31.18 63.67 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.717 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.65 -40.79 92.85 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.777 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.92 -41.2 82.2 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.863 179.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.37 -37.25 74.86 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.752 179.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.496 ' HA ' HD12 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -68.42 -35.74 78.06 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.237 179.203 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.7 -41.03 88.66 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.901 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.455 ' HA ' HD23 ' A' ' 64' ' ' LEU . 12.4 mt -56.4 -34.94 67.21 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 120.707 0.289 . . . . 0.0 110.615 179.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.496 HD12 ' HA ' ' A' ' 62' ' ' LYS . 23.2 mt -69.62 -29.8 42.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.708 179.148 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.21 -51.72 14.57 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.884 179.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.4 ttt85 -62.53 -24.97 67.79 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.344 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 m -57.77 115.17 2.65 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.742 0.306 . . . . 0.0 111.111 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.6 mmpp? -86.57 106.54 17.62 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.635 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 61.66 -98.62 0.19 Allowed Glycine 0 C--N 1.335 0.493 0 C-N-CA 121.247 -0.502 . . . . 0.0 113.546 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.436 ' HG3' HG22 ' B' ' 6' ' ' VAL . 0.0 OUTLIER -66.26 140.24 58.13 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 120.725 0.298 . . . . 0.0 111.179 -179.38 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.872 HD12 ' CZ ' ' B' ' 14' ' ' TYR . 0.4 OUTLIER -126.68 144.87 50.79 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.083 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 59.1 mttt -122.28 131.85 54.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.538 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 8.1 mtm -138.87 125.09 20.21 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.801 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 18.4 t -100.15 115.48 41.44 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.153 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.706 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.1 m -115.44 162.94 13.13 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.503 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -132.05 145.48 51.45 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.241 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.68 -43.66 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.273 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t70 69.22 101.26 0.06 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.897 0.38 . . . . 0.0 110.938 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -136.19 148.22 48.02 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.078 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.3 mp -67.15 -42.46 84.31 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 . . . . . 0 C--O 1.252 1.233 0 CA-C-O 118.477 -0.773 . . . . 0.0 110.997 179.869 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 120.809 0.337 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.51 134.43 55.22 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.988 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . 0.686 HG13 ' CB ' ' A' ' 38' ' ' ASN . 17.9 t -110.04 119.14 58.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.614 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.92 107.92 14.67 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 120.76 0.314 . . . . 0.0 111.439 -179.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.646 ' CD2' HG12 ' B' ' 3' ' ' VAL . 3.2 mm? -99.67 160.06 14.58 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.92 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . 0.501 ' O ' HD22 ' A' ' 32' ' ' LEU . 19.8 t -130.36 100.61 5.11 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.958 179.607 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.415 ' HB2' ' CZ ' ' B' ' 14' ' ' TYR . 5.9 ttmt -82.94 130.76 35.18 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.232 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 24.6 t -120.47 129.64 53.95 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.038 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 3.4 mtp85 64.19 177.42 0.18 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.504 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.85 30.32 5.21 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.087 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -139.19 24.05 2.54 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.286 179.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -148.08 77.19 1.4 Allowed 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.9 0.381 . . . . 0.0 110.569 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -68.48 170.81 8.38 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.232 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . 0.872 ' CZ ' HD12 ' A' ' 72' ' ' LEU . 41.5 m-85 -71.25 -20.22 62.26 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.796 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.04 42.28 94.92 Favored Glycine 0 C--N 1.338 0.676 0 C-N-CA 121.156 -0.545 . . . . 0.0 112.91 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.569 ' O ' HD12 ' B' ' 16' ' ' LEU . 2.8 pp -116.15 122.49 45.24 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.842 0.353 . . . . 0.0 111.043 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.512 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -79.2 111.34 15.32 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.53 179.706 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.79 HD11 ' CG2' ' A' ' 22' ' ' ILE . 0.4 OUTLIER -94.3 137.11 33.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.4 -179.447 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.583 ' N ' HD13 ' B' ' 18' ' ' LEU . . . -137.5 175.54 9.51 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.989 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.404 ' HB3' HD13 ' A' ' 22' ' ' ILE . 6.8 p -141.01 150.89 43.62 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.993 0.425 . . . . 0.0 111.951 -179.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' HIS . . . . . 0.408 ' HD2' ' CE1' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -121.9 -179.75 4.24 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.841 179.869 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.757 ' CG2' HD11 ' A' ' 18' ' ' LEU . 35.1 mm -134.12 140.31 46.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.279 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 7.7 p90 -149.07 -178.13 6.2 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.385 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 12.2 t -109.16 119.84 59.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.024 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.507 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 10.9 tptm -68.12 -45.41 73.73 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.649 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.444 ' O ' HD13 ' B' ' 27' ' ' ILE . 0.1 OUTLIER -165.67 172.69 11.59 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.844 0.354 . . . . 0.0 111.214 -179.623 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . 0.807 HD12 HG22 ' B' ' 39' ' ' ILE . 2.2 mm -125.66 129.91 72.63 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.951 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 6.5 p -78.72 146.51 33.87 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.604 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -74.95 150.07 39.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.157 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 60.43 37.94 19.61 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.431 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 9.2 p -115.36 177.89 4.5 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.837 0.351 . . . . 0.0 111.277 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.523 HD12 ' CD1' ' A' ' 14' ' ' TYR . 64.9 mt -63.32 -36.76 84.75 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.638 179.575 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.756 ' HB1' ' HB ' ' B' ' 39' ' ' ILE . . . -65.35 -43.91 89.39 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.008 179.352 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.46 -43.44 93.21 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.876 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 28.3 tpt180 -71.16 -39.49 71.86 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.755 179.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -64.54 -35.38 80.78 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.185 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.91 39.74 89.37 Favored Glycine 0 C--N 1.334 0.452 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.531 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.738 ' CB ' HG13 ' A' ' 3' ' ' VAL . 36.7 m-80 -129.77 -51.67 1.15 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.599 0.2 . . . . 0.0 111.275 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . 0.807 HG22 HD12 ' B' ' 27' ' ' ILE . 29.6 mm -71.57 116.37 13.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.888 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.435 ' C ' HD11 ' B' ' 27' ' ' ILE . 36.9 mt-30 -126.43 171.26 11.17 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.208 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.43 ' HG3' ' HA ' ' B' ' 26' ' ' GLU . 6.1 mp0 -74.46 128.23 35.02 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.771 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.45 -18.99 55.9 Favored Glycine 0 CA--C 1.522 0.472 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.985 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -56.39 132.81 52.14 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.824 0.312 . . . . 0.0 111.098 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.7 t -99.9 125.83 53.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.355 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 21.3 t -97.48 131.24 44.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.421 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.1 -44.46 6.61 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.98 179.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.39 154.49 50.71 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.689 -179.349 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.636 ' HB ' HD22 ' B' ' 64' ' ' LEU . 37.1 mt -133.14 120.34 39.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 179.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 22.7 p30 43.85 38.1 1.96 Allowed 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.277 0.631 . . . . 0.0 111.892 -179.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.5 37.78 16.37 Favored Glycine 0 C--N 1.336 0.545 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.793 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.2 120.1 8.72 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.785 0.293 . . . . 0.0 110.627 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.459 HG12 ' H ' ' B' ' 54' ' ' GLU . 18.3 t -65.3 138.59 22.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.535 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.73 37.75 4.21 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.236 -179.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . 0.459 ' H ' HG12 ' B' ' 52' ' ' VAL . 0.1 OUTLIER -102.46 146.25 28.37 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 120.727 0.299 . . . . 0.0 110.219 179.11 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 4.8 m120 63.86 9.37 4.44 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.176 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -97.59 161.96 13.52 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 120.954 0.407 . . . . 0.0 111.213 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 10.4 m -77.4 150.71 35.03 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.823 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.695 HD13 ' HA ' ' A' ' 55' ' ' ASN . 8.2 tp -54.6 -30.06 53.52 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.895 179.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.98 -42.07 97.66 Favored 'General case' 0 C--O 1.231 0.086 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.75 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -56.73 -45.02 82.2 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.794 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.65 -38.93 72.84 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.651 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 9.1 mtmm -65.47 -38.11 88.83 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.327 179.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.2 -39.26 89.52 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.926 179.504 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.636 HD22 ' HB ' ' B' ' 48' ' ' ILE . 0.5 OUTLIER -56.19 -36.06 67.96 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.795 0.331 . . . . 0.0 110.513 179.714 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 13.0 mt -75.05 -31.2 24.51 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 179.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.82 -49.39 53.1 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.077 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.34 -33.73 72.83 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.201 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . 0.402 ' CB ' ' HG ' ' B' ' 72' ' ' LEU . 63.2 m -74.72 90.59 2.33 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.849 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.84 36.17 1.87 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.214 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -172.34 -102.74 0.16 Allowed Glycine 0 C--N 1.333 0.386 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.407 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.45 122.11 35.54 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.946 0.373 . . . . 0.0 111.07 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.532 HD12 ' CE2' ' A' ' 14' ' ' TYR . 0.3 OUTLIER -108.44 144.1 36.49 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.87 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . 0.406 ' HG3' HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER -125.98 142.01 51.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.751 179.65 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.46 ' CE ' HD12 ' B' ' 39' ' ' ILE . 32.9 mtm -147.02 127.5 14.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.677 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.675 HG22 ' HG2' ' A' ' 2' ' ' LYS . 24.2 t -97.91 111.12 26.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.559 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 14.4 m -102.52 169.99 1.8 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.289 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -130.19 146.74 51.84 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.165 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -153.68 -58.74 0.13 Allowed 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.066 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -109.07 173.23 6.41 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.056 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -84.33 168.67 15.4 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.879 0.371 . . . . 0.0 111.228 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.36 -44.75 8.97 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.342 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 . . . . . 0 C--O 1.251 1.163 0 CA-C-O 118.681 -0.676 . . . . 0.0 111.647 -179.51 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.456 ' OG1' HG23 ' B' ' 76' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 120.606 0.241 . . . . 0.0 111.113 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.2 pttp -106.73 121.91 45.31 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.867 0.365 . . . . 0.0 111.316 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.731 HG11 ' CG1' ' B' ' 39' ' ' ILE . 36.3 t -104.22 127.14 58.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.883 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.0 m -129.05 105.57 8.28 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.788 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.643 HD11 ' CD1' ' B' ' 39' ' ' ILE . 89.2 mt -98.83 152.29 19.88 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.749 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.8 t -121.19 103.92 14.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.942 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.448 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 0.3 OUTLIER -85.17 151.44 24.1 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.986 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.6 m 68.19 176.94 0.26 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 61.23 75.96 0.39 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.847 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt 55.65 36.74 27.81 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.111 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -144.91 136.14 25.07 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.856 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -76.02 -174.03 2.55 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.249 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.0 pm0 -71.13 168.56 16.92 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.796 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.748 ' HB3' HD23 ' A' ' 16' ' ' LEU . 26.8 m-85 -65.63 -47.5 75.38 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.266 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.59 14.95 45.13 Favored Glycine 0 C--N 1.336 0.558 0 C-N-CA 121.092 -0.575 . . . . 0.0 113.307 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.748 HD23 ' HB3' ' A' ' 14' ' ' TYR . 2.6 pp -86.2 112.24 21.16 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 117.377 0.588 . . . . 0.0 111.045 -179.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.453 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 2.9 ttm180 -73.65 130.97 41.13 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.305 179.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -117.67 163.75 16.01 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.11 0.481 . . . . 0.0 111.654 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.653 ' HB3' ' CZ ' ' B' ' 23' ' ' PHE . . . -157.18 -179.08 7.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.999 -179.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.1 p -134.9 149.25 50.25 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.107 0.48 . . . . 0.0 111.685 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.439 ' HD2' ' CE1' ' B' ' 23' ' ' PHE . 0.1 OUTLIER -116.18 176.08 5.26 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.637 179.812 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.746 ' CG2' HD11 ' B' ' 18' ' ' LEU . 30.6 mm -133.95 138.73 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-O 120.796 0.332 . . . . 0.0 111.34 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.472 ' CE1' ' HD2' ' B' ' 21' ' ' HIS . 10.1 p90 -147.81 -179.41 6.88 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.314 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.9 t -103.43 117.02 48.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.069 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.513 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 8.0 tptt -66.18 -39.72 89.91 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.341 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -174.43 175.56 2.55 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.864 0.364 . . . . 0.0 111.083 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.481 ' CG2' ' HB3' ' A' ' 33' ' ' ALA . 2.5 mt -130.16 137.27 56.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.042 179.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m -75.84 150.76 37.6 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.143 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -74.93 144.08 43.42 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.787 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.01 33.45 21.36 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.939 -179.546 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.553 ' HB2' ' HA3' ' B' ' 15' ' ' GLY . 24.2 p -103.92 177.75 4.75 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.274 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.628 HD21 ' O ' ' B' ' 6' ' ' VAL . 0.4 OUTLIER -62.55 -41.78 99.12 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.816 179.912 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.66 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -62.12 -43.1 99.57 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.878 179.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.79 -36.74 84.37 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.952 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.1 tpt180 -71.6 -41.03 69.45 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.848 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.43 -38.4 74.54 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.447 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.49 36.41 54.58 Favored Glycine 0 C--N 1.334 0.422 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.494 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.665 ' CB ' HG13 ' B' ' 3' ' ' VAL . 1.9 m-80 -118.94 -51.32 2.35 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.483 0.182 . . . . 0.0 110.832 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.66 ' HB ' ' HB1' ' A' ' 33' ' ' ALA . 32.9 mm -73.34 125.33 32.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.791 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.406 ' CA ' HD11 ' A' ' 27' ' ' ILE . 3.9 mt-30 -131.45 155.68 46.94 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.861 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -60.09 119.67 8.26 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.977 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.89 -19.58 40.8 Favored Glycine 0 CA--C 1.522 0.504 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.686 -179.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.55 123.02 13.38 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.893 0.378 . . . . 0.0 111.1 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.2 t -89.52 120.9 39.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.015 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 20.8 t -89.61 120.43 38.35 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.343 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 46' ' ' LEU . 0.2 OUTLIER -85.07 -47.68 9.95 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.903 179.777 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.9 mtpt -136.74 156.23 48.79 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 120.978 0.418 . . . . 0.0 111.493 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.57 ' HB ' HD13 ' A' ' 64' ' ' LEU . 28.3 mt -136.16 118.94 21.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.55 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 56.98 36.75 28.2 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.165 -179.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.35 35.89 41.05 Favored Glycine 0 CA--C 1.521 0.465 0 C-N-CA 120.963 -0.637 . . . . 0.0 112.686 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.76 132.84 24.43 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.54 0.21 . . . . 0.0 110.701 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.3 t -64.63 143.19 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.099 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.633 HG22 HG13 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -124.26 43.7 2.93 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.062 179.638 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -115.95 143.99 44.68 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 178.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 65.23 9.44 5.62 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.784 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.6 ttm -98.53 147.66 24.55 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.844 0.354 . . . . 0.0 110.916 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.2 m -61.99 147.57 46.65 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 65.4 tp -54.22 -31.43 53.18 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.667 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.05 -40.39 94.69 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.851 179.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.04 -43.4 77.83 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.792 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.15 -42.07 85.12 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.954 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.9 mttm -62.14 -34.88 77.2 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.564 179.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.8 m -66.53 -40.1 88.97 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 179.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.57 HD13 ' HB ' ' A' ' 48' ' ' ILE . 1.8 mt -55.52 -34.21 64.44 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.922 0.391 . . . . 0.0 110.42 179.591 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 33.0 mt -71.64 -31.06 40.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.62 179.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -74.68 -36.53 62.79 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.789 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -69.81 -25.23 63.67 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.454 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.5 m -64.65 100.2 0.37 Allowed 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 120.771 0.319 . . . . 0.0 110.946 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.8 mmpt? -62.81 -56.34 18.31 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.743 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -124.44 -88.7 0.8 Allowed Glycine 0 C--N 1.336 0.566 0 C-N-CA 120.748 -0.739 . . . . 0.0 113.101 -179.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.35 144.76 48.15 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.755 0.312 . . . . 0.0 110.854 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.703 HD12 ' CZ ' ' B' ' 14' ' ' TYR . 0.4 OUTLIER -121.36 125.19 46.37 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.005 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -108.36 126.8 53.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.634 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.492 ' HG2' HG23 ' A' ' 48' ' ' ILE . 4.9 mtm -137.37 126.09 23.88 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.721 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.9 t -98.22 111.08 27.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.944 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 10.7 m -105.62 174.19 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.433 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -107.47 133.13 52.42 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.062 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.7 mmm-85 -170.59 167.05 8.1 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -101.26 89.92 3.94 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.044 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -169.76 157.23 6.79 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.069 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 63.64 75.84 0.38 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.792 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 . . . . . 0 C--O 1.252 1.203 0 CA-C-O 118.337 -0.84 . . . . 0.0 110.986 -179.979 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 6.7 m . . . . . 0 N--CA 1.489 1.495 0 CA-C-O 120.68 0.276 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -114.58 132.09 56.46 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.247 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . 0.665 HG13 ' CB ' ' A' ' 38' ' ' ASN . 17.8 t -109.77 132.19 58.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.2 108.92 10.72 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.13 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 73.1 mt -103.39 157.77 16.8 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.053 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . 0.628 ' O ' HD21 ' A' ' 32' ' ' LEU . 21.8 t -129.58 100.76 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.86 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.407 ' HD3' ' HG2' ' B' ' 12' ' ' GLU . 18.1 ttmt -67.9 101.54 1.11 Allowed 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.12 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -110.09 169.28 8.83 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.022 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 67.08 177.45 0.24 Allowed 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.085 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 28.8 tttp -101.41 103.8 14.74 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.878 0.37 . . . . 0.0 111.279 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -177.88 -39.34 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.47 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.451 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . 0.407 ' HG2' ' HD3' ' B' ' 7' ' ' LYS . 38.3 mt-10 60.54 60.31 2.0 Allowed 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.025 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -139.36 104.67 5.03 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.185 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . 0.703 ' CZ ' HD12 ' A' ' 72' ' ' LEU . 97.3 m-85 -75.51 -24.3 56.81 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.287 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.553 ' HA3' ' HB2' ' A' ' 31' ' ' SER . . . 72.61 39.76 55.26 Favored Glycine 0 C--N 1.334 0.472 0 C-N-CA 120.999 -0.619 . . . . 0.0 112.765 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.578 HD23 ' HB3' ' B' ' 14' ' ' TYR . 2.5 pp -124.64 125.23 43.79 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.853 0.359 . . . . 0.0 111.16 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.513 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -86.67 120.19 27.72 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.781 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.746 HD11 ' CG2' ' A' ' 22' ' ' ILE . 0.4 OUTLIER -98.96 135.93 39.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.728 -179.394 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.581 ' N ' HD13 ' B' ' 18' ' ' LEU . . . -133.6 179.48 6.19 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.721 179.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.431 ' O ' ' HG2' ' B' ' 54' ' ' GLU . 88.1 p -147.27 144.49 28.88 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -179.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' HIS . . . . . 0.472 ' HD2' ' CE1' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -119.69 177.77 4.83 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.919 179.64 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.405 HG13 ' HB ' ' B' ' 53' ' ' THR . 38.0 mm -128.17 141.3 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.092 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.653 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 12.1 p90 -147.63 175.48 10.84 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.249 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.516 HG23 ' O ' ' B' ' 43' ' ' ASP . 24.7 t -93.88 125.46 46.47 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-O 120.838 0.351 . . . . 0.0 110.997 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.453 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 14.2 tptm -75.22 -42.0 56.46 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.663 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -170.96 174.4 4.77 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.885 0.374 . . . . 0.0 111.412 -179.411 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . 0.458 ' CD1' HG22 ' B' ' 39' ' ' ILE . 8.9 mm -123.25 133.22 69.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.623 179.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -77.88 145.25 36.33 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.707 0.289 . . . . 0.0 111.025 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.01 140.59 42.04 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.75 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 58.15 40.36 25.09 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.262 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 59.1 m -118.25 178.07 4.57 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.964 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.528 HD12 ' CD1' ' A' ' 14' ' ' TYR . 68.0 mt -56.22 -43.99 79.13 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.103 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.42 -45.59 91.13 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.296 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.8 -38.53 91.02 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.107 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 13.9 mmt-85 -73.51 -41.87 62.5 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.005 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.54 -33.67 74.52 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.465 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.12 29.23 73.78 Favored Glycine 0 C--N 1.335 0.516 0 C-N-CA 120.899 -0.667 . . . . 0.0 113.052 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.682 ' HB2' HG13 ' A' ' 3' ' ' VAL . 76.7 m-20 -110.12 -32.75 6.89 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.723 0.261 . . . . 0.0 111.442 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . 0.731 ' CG1' HG11 ' A' ' 3' ' ' VAL . 23.6 mt -97.05 133.02 40.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-O 120.731 0.301 . . . . 0.0 111.201 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -137.34 171.72 14.06 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -72.18 117.94 14.44 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.781 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.08 4.22 44.75 Favored Glycine 0 CA--C 1.523 0.593 0 C-N-CA 121.026 -0.607 . . . . 0.0 113.186 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . 0.642 ' HB3' HG11 ' B' ' 76' ' ' VAL . 0.7 OUTLIER -73.76 111.62 9.08 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 117.078 0.439 . . . . 0.0 110.837 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 23.4 t -80.24 104.85 9.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.982 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . 0.58 HG22 ' CG1' ' B' ' 76' ' ' VAL . 21.6 t -83.5 120.84 35.36 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.378 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.56 HD23 ' HG3' ' B' ' 47' ' ' LYS . 7.3 tt -92.87 -37.0 12.52 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.979 179.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . 0.56 ' HG3' HD23 ' B' ' 46' ' ' LEU . 19.9 mtpt -136.46 152.72 50.88 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.83 0.348 . . . . 0.0 111.496 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.486 ' HB ' HD13 ' B' ' 64' ' ' LEU . 26.0 mt -140.87 120.32 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.435 179.484 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 57.9 33.18 22.92 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 -179.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.79 33.89 32.56 Favored Glycine 0 C--N 1.336 0.556 0 C-N-CA 120.939 -0.648 . . . . 0.0 113.071 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.26 128.27 15.53 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.807 0.304 . . . . 0.0 110.995 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.696 HG12 ' H ' ' B' ' 54' ' ' GLU . 22.1 t -69.1 140.06 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.744 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.405 ' HB ' HG13 ' B' ' 22' ' ' ILE . 0.3 OUTLIER -114.45 20.94 15.03 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -179.569 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . 0.696 ' H ' HG12 ' B' ' 52' ' ' VAL . 9.8 tm-20 -92.84 145.77 24.14 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.91 0.386 . . . . 0.0 110.484 179.294 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 74.49 -1.72 3.01 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.095 -179.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 1.9 ttm -97.27 165.99 11.77 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.908 0.385 . . . . 0.0 110.987 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.15 151.85 39.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.741 179.627 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 39.2 tp -54.78 -30.67 57.44 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.572 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.36 -38.88 91.38 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.813 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.34 -43.41 83.37 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.891 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.63 -39.62 81.03 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.767 0.318 . . . . 0.0 110.749 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . 0.432 ' HA ' HD12 ' B' ' 65' ' ' ILE . 6.8 mtpt -64.9 -36.53 84.65 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.587 179.365 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.31 -42.73 96.17 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.005 179.451 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.486 HD13 ' HB ' ' B' ' 48' ' ' ILE . 2.7 mt -56.0 -36.98 68.52 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.824 0.345 . . . . 0.0 110.148 179.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' B' ' 62' ' ' LYS . 17.8 mt -73.59 -32.03 34.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.774 179.111 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -71.24 -46.72 60.44 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.773 0.321 . . . . 0.0 110.972 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -61.06 -26.74 67.85 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.495 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . 0.459 ' CB ' ' HG ' ' B' ' 72' ' ' LEU . 36.5 m -64.53 95.9 0.15 Allowed 'General case' 0 CA--C 1.53 0.198 0 CA-C-O 120.886 0.374 . . . . 0.0 111.068 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.58 -33.83 35.74 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.437 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -121.62 -98.39 1.54 Allowed Glycine 0 C--N 1.337 0.616 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.973 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -80.73 146.77 30.87 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.787 0.327 . . . . 0.0 111.068 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.487 HD12 ' CE2' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -121.16 119.37 32.16 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 3.4 tttt -103.24 129.06 50.08 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.591 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 22.2 mtp -137.6 122.68 19.12 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.028 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 20.3 t -98.74 112.61 31.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.929 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.642 HG11 ' HB3' ' B' ' 43' ' ' ASP . 6.0 m -109.4 175.62 1.54 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.388 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.24 163.5 13.59 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.967 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.81 64.2 1.51 Allowed 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 120.866 0.365 . . . . 0.0 111.348 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -86.85 151.16 23.59 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.223 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 63.04 86.56 0.12 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.29 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -160.7 129.43 4.7 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.18 -0.914 . . . . 0.0 111.242 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.0 p . . . . . 0 N--CA 1.492 1.635 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.6 pttp -116.27 135.57 53.77 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.831 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.648 HG13 ' HB2' ' B' ' 38' ' ' ASN . 21.0 t -114.82 131.66 66.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.169 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.426 HG22 ' HD2' ' B' ' 71' ' ' LYS . 0.6 OUTLIER -128.96 105.59 8.31 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.776 179.718 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 75.7 mt -100.35 142.76 31.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.587 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.0 t -113.18 101.57 12.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.952 0.406 . . . . 0.0 111.164 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.44 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 0.6 OUTLIER -84.05 100.89 11.38 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.955 179.882 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.6 t -173.01 159.14 3.91 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.799 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.8 mtt180 62.81 -173.11 0.16 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.296 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.55 60.5 5.71 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 120.928 0.394 . . . . 0.0 110.883 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -117.83 15.49 14.36 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.181 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 65.64 160.18 0.12 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.021 0.439 . . . . 0.0 111.569 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.68 -177.65 4.37 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.867 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.796 ' CE2' HD12 ' B' ' 72' ' ' LEU . 38.1 m-85 -57.95 -42.63 85.36 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.198 -179.587 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 50.32 53.8 22.59 Favored Glycine 0 C--N 1.336 0.583 0 C-N-CA 121.401 -0.428 . . . . 0.0 112.972 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.726 HD23 ' HB3' ' A' ' 14' ' ' TYR . 2.4 pp -124.84 124.94 43.16 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.887 0.375 . . . . 0.0 111.071 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.51 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.3 OUTLIER -72.36 121.55 19.69 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.692 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.704 HD11 ' CG2' ' B' ' 22' ' ' ILE . 0.6 OUTLIER -100.37 135.38 41.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.612 -179.314 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.609 ' N ' HD13 ' A' ' 18' ' ' LEU . . . -137.29 177.0 8.21 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.788 179.497 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 83.0 p -142.11 155.43 45.35 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.109 0.481 . . . . 0.0 111.609 -179.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.42 ' HD2' ' CE1' ' B' ' 23' ' ' PHE . 0.1 OUTLIER -122.06 178.73 4.78 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.265 179.586 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.767 HG23 HD11 ' B' ' 18' ' ' LEU . 29.3 mm -131.55 139.32 50.95 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.156 0 CA-C-O 120.705 0.288 . . . . 0.0 111.248 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.471 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 8.8 p90 -149.47 177.39 9.76 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.056 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.1 t -104.29 111.76 35.17 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.927 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.466 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 1.5 tttp -62.64 -49.84 73.57 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.441 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -162.58 174.81 12.12 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.094 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.6 mp -123.99 146.96 28.63 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.067 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.5 t -90.93 151.28 21.17 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.871 0.367 . . . . 0.0 111.109 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -75.81 159.59 30.86 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.683 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.1 p30 42.33 34.88 0.55 Allowed 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.911 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.0 m -111.1 174.78 5.7 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.882 0.372 . . . . 0.0 110.594 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.424 HD22 ' O ' ' B' ' 6' ' ' VAL . 23.6 mt -58.37 -41.88 85.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.83 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.526 ' CB ' HD13 ' A' ' 39' ' ' ILE . . . -60.86 -41.77 96.56 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.183 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.84 -39.86 87.77 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.353 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.39 -47.63 54.99 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.362 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.2 -37.71 88.45 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.598 0.237 . . . . 0.0 111.389 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.45 40.58 96.36 Favored Glycine 0 C--N 1.334 0.459 0 C-N-CA 121.172 -0.537 . . . . 0.0 113.125 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.496 ' CB ' HG13 ' B' ' 3' ' ' VAL . 40.7 m-80 -122.33 8.84 9.69 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.556 HG13 HG11 ' B' ' 3' ' ' VAL . 2.0 mp -129.08 139.74 51.08 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-O 120.629 0.252 . . . . 0.0 111.231 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -132.1 156.2 46.77 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.009 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -67.83 121.48 16.1 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.629 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.38 -16.98 57.47 Favored Glycine 0 CA--C 1.523 0.583 0 C-N-CA 120.89 -0.671 . . . . 0.0 113.006 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.16 128.04 34.97 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.87 0.335 . . . . 0.0 111.218 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 28.2 t -83.24 135.02 25.64 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.411 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 24.8 t -104.84 124.44 59.48 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.99 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -91.7 -45.69 8.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.822 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -133.42 156.7 47.21 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.386 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.2 mt -139.56 128.02 27.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.509 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.5 t30 55.21 30.58 14.84 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.305 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.44 34.31 36.45 Favored Glycine 0 C--N 1.337 0.622 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.926 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.81 144.63 28.32 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.652 0.263 . . . . 0.0 110.863 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.633 HG12 ' H ' ' A' ' 54' ' ' GLU . 21.9 t -73.19 144.38 12.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.791 179.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.458 ' HB ' HG13 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -128.51 20.79 6.12 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.649 -179.834 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.633 ' H ' HG12 ' A' ' 52' ' ' VAL . 0.9 OUTLIER -80.98 150.3 28.98 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 120.937 0.399 . . . . 0.0 110.815 179.398 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 50.52 19.49 0.58 Allowed 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.302 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.2 tpp -99.26 162.42 13.06 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.721 0.296 . . . . 0.0 110.571 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 m -72.81 143.57 47.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.658 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 66.7 tp -54.8 -32.96 60.93 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.732 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -37.32 86.29 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.531 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -58.4 -42.32 86.86 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.48 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.05 -37.47 71.85 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.4 mttm -64.21 -36.66 84.79 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.655 179.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.11 -43.37 98.99 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.757 179.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.88 -37.76 69.24 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.375 179.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 33.5 mt -72.85 -32.44 40.23 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.804 179.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -73.69 -43.14 60.11 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.776 0.322 . . . . 0.0 110.736 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 -67.73 -23.02 65.21 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.706 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 73.6 m -54.73 111.71 0.87 Allowed 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 120.762 0.315 . . . . 0.0 110.917 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 23.3 mtmm -63.93 -33.09 74.93 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.422 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -174.82 -62.05 0.05 OUTLIER Glycine 0 C--N 1.334 0.427 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.046 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.6 pttt -83.73 128.34 34.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.817 0.341 . . . . 0.0 111.348 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.65 HD12 ' CZ ' ' B' ' 14' ' ' TYR . 0.6 OUTLIER -115.84 133.88 55.57 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.494 ' HG2' HG23 ' B' ' 4' ' ' THR . 86.8 mttt -125.58 105.77 9.27 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.067 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -114.0 128.76 56.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.804 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.404 HG22 ' HG2' ' B' ' 2' ' ' LYS . 18.1 t -97.81 131.78 44.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.753 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.448 ' CG2' ' HB ' ' B' ' 1' ' ' THR . 29.3 m -108.37 173.77 1.77 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.454 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -92.66 132.83 36.57 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -127.75 -178.24 4.42 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.947 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 62.93 -175.76 0.15 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.29 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -158.48 -45.79 0.06 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.445 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 40.6 mt -54.47 128.33 31.47 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.09 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.151 -0.928 . . . . 0.0 111.411 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' THR . . . . . 0.448 ' HB ' ' CG2' ' A' ' 76' ' ' VAL . 61.9 m . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 120.672 0.273 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.404 ' HG2' HG22 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -110.43 142.13 42.58 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.315 -179.565 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . 0.556 HG11 HG13 ' A' ' 39' ' ' ILE . 22.2 t -121.69 111.15 29.8 Favored 'Isoleucine or valine' 0 C--O 1.231 0.118 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.929 179.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.494 HG23 ' HG2' ' A' ' 73' ' ' LYS . 3.9 m -110.36 122.22 47.17 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.998 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.437 HD11 HD11 ' A' ' 39' ' ' ILE . 86.1 mt -121.23 156.67 31.95 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.845 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . 0.424 ' O ' HD22 ' A' ' 32' ' ' LEU . 18.6 t -133.43 102.07 4.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.867 0.365 . . . . 0.0 111.154 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.475 ' HB2' ' CE1' ' B' ' 14' ' ' TYR . 0.0 OUTLIER -90.91 142.36 27.85 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.326 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 14.8 t -95.85 158.23 15.54 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.058 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 24.3 mtt-85 -94.51 26.46 3.43 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.308 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 26.6 tttp -110.62 -68.3 0.94 Allowed 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.526 0.203 . . . . 0.0 111.109 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -166.45 68.01 0.11 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.978 0.418 . . . . 0.0 110.908 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -148.24 130.03 15.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.81 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -122.79 150.43 42.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.803 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . 0.817 ' HB3' HD23 ' B' ' 16' ' ' LEU . 48.0 m-85 -60.3 -36.23 77.4 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.161 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.39 32.3 72.28 Favored Glycine 0 C--N 1.335 0.498 0 C-N-CA 120.993 -0.623 . . . . 0.0 112.848 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.817 HD23 ' HB3' ' B' ' 14' ' ' TYR . 2.8 pp -102.32 118.39 36.78 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.844 0.354 . . . . 0.0 110.781 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.466 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -75.79 109.56 9.49 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.481 179.867 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.767 HD11 HG23 ' A' ' 22' ' ' ILE . 1.7 tm? -95.14 136.18 35.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.242 -179.486 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.713 ' N ' HD13 ' B' ' 18' ' ' LEU . . . -137.36 167.15 22.17 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.108 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 59.8 p -132.96 141.3 48.25 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.823 0.344 . . . . 0.0 111.634 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' HIS . . . . . 0.401 ' HD2' ' CE1' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -105.24 179.36 4.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.767 179.647 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.704 ' CG2' HD11 ' A' ' 18' ' ' LEU . 32.0 mm -132.31 140.08 48.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.412 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.458 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 12.9 p90 -149.42 177.47 9.67 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.369 179.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.2 t -101.32 113.2 36.77 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.074 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.51 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 4.0 tptt -64.06 -35.58 81.2 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.239 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -175.38 172.12 2.74 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.815 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 3.8 mp -126.53 133.08 69.49 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.956 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 69.5 m -76.82 157.3 31.63 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.007 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -84.18 152.24 24.37 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.116 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 59.8 32.78 21.5 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.258 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 52.1 p -114.33 174.26 6.04 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.779 0.323 . . . . 0.0 111.263 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.41 ' HB2' ' HA ' ' A' ' 14' ' ' TYR . 12.7 mt -61.26 -42.08 98.03 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.053 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.05 -43.26 99.15 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.655 0.264 . . . . 0.0 110.869 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.9 -36.78 78.44 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.986 179.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 -71.71 -43.86 65.19 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.631 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.07 -37.26 83.69 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.997 179.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.83 38.78 89.67 Favored Glycine 0 C--N 1.334 0.44 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.813 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.648 ' HB2' HG13 ' A' ' 3' ' ' VAL . 75.7 m-80 -125.67 4.72 7.48 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . 0.609 HD11 HG11 ' A' ' 3' ' ' VAL . 20.8 mm -127.16 108.35 18.45 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-O 120.704 0.287 . . . . 0.0 110.964 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.32 152.72 21.22 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.806 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -59.2 119.61 7.67 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.954 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.5 -11.8 46.97 Favored Glycine 0 CA--C 1.523 0.552 0 C-N-CA 120.783 -0.722 . . . . 0.0 113.181 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.81 123.85 15.57 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.969 0.385 . . . . 0.0 111.065 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.3 t -85.84 119.51 34.32 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . 0.716 ' HA ' HG12 ' B' ' 76' ' ' VAL . 23.5 t -88.15 138.6 18.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.262 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.859 HD21 HG12 ' B' ' 75' ' ' VAL . 2.3 pp -110.24 -37.52 5.52 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.338 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . 0.401 ' CG ' HD12 ' B' ' 46' ' ' LEU . 2.9 mtpp -142.21 155.64 45.28 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.924 0.392 . . . . 0.0 111.309 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.422 HG22 ' ND2' ' B' ' 49' ' ' ASN . 35.3 mt -140.58 122.66 15.34 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.468 179.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . 0.422 ' ND2' HG22 ' B' ' 48' ' ' ILE . 66.4 m-20 56.58 36.06 27.02 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.164 -179.457 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.27 31.41 51.9 Favored Glycine 0 CA--C 1.523 0.562 0 C-N-CA 120.948 -0.644 . . . . 0.0 113.264 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.14 132.66 17.7 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 117.014 0.407 . . . . 0.0 110.855 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.761 HG12 ' H ' ' B' ' 54' ' ' GLU . 29.5 t -68.7 136.93 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.712 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.521 HG23 ' CD1' ' B' ' 64' ' ' LEU . 0.2 OUTLIER -108.34 18.12 21.38 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.873 -179.712 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . 0.761 ' H ' HG12 ' B' ' 52' ' ' VAL . 9.7 tm-20 -80.83 151.79 28.53 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 179.226 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 1.9 p30 61.28 7.11 1.56 Allowed 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.468 -179.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 2.1 ttm -97.32 148.4 23.19 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.712 0.291 . . . . 0.0 110.531 179.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.3 146.05 52.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.629 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 60.4 tp -53.66 -32.19 50.61 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.816 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.33 -40.21 81.68 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.807 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -57.46 -37.32 72.67 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.407 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.93 -38.08 81.35 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.105 178.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' B' ' 63' ' ' THR . 0.0 OUTLIER -61.71 -34.19 75.35 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.243 178.813 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' THR . . . . . 0.441 ' N ' ' HG3' ' B' ' 62' ' ' LYS . 0.2 OUTLIER -70.52 -41.94 71.9 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.995 179.691 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.521 ' CD1' HG23 ' B' ' 53' ' ' THR . 1.7 mt -55.38 -34.73 64.59 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.574 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 22.2 mt -70.7 -32.31 48.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.778 179.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -76.45 -39.77 52.42 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 120.836 0.351 . . . . 0.0 110.955 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -63.83 -26.03 68.44 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.417 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 44.1 t -47.73 113.24 0.67 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.805 0.336 . . . . 0.0 111.507 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.64 79.46 9.35 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.588 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.15 -77.7 2.09 Favored Glycine 0 C--N 1.333 0.369 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.753 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . 0.426 ' HD2' HG22 ' A' ' 4' ' ' THR . 1.7 mtmm -84.18 139.77 32.18 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-O 120.792 0.33 . . . . 0.0 111.274 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.796 HD12 ' CE2' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -119.53 115.94 25.06 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.654 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.39 115.52 29.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.504 179.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -124.22 126.54 46.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.144 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.859 HG12 HD21 ' B' ' 46' ' ' LEU . 14.0 t -106.99 128.46 61.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.655 179.528 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.716 HG12 ' HA ' ' B' ' 45' ' ' VAL . 28.9 m -131.67 177.26 7.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.396 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -95.83 159.24 15.08 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.955 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 19.9 ptt180 -71.51 174.77 6.2 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.299 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -98.69 179.07 4.79 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.186 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -78.73 177.01 8.99 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.19 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 mt -106.44 125.21 50.72 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 4.4 pm0 . . . . . 0 C--O 1.251 1.176 0 CA-C-O 118.491 -0.766 . . . . 0.0 111.221 179.949 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.432 ' O ' HG22 ' B' ' 76' ' ' VAL . 3.5 p . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.58 138.15 41.27 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.892 0.377 . . . . 0.0 111.312 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.651 HG12 ' CD2' ' A' ' 5' ' ' LEU . 23.5 t -116.21 127.21 73.87 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.936 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.447 ' C ' HD22 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -128.37 114.55 16.99 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.001 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.651 ' CD2' HG12 ' A' ' 3' ' ' VAL . 3.4 mm? -110.19 152.87 25.54 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.959 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.2 t -119.8 99.43 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.056 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.546 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 0.4 OUTLIER -74.85 132.52 41.58 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.141 179.809 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.3 p -102.97 -147.54 0.38 Allowed 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.733 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.41 -177.45 0.55 Allowed 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 120.504 0.192 . . . . 0.0 110.985 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.5 tttm -78.86 57.66 2.18 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.101 0.477 . . . . 0.0 110.833 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -140.24 -39.19 0.44 Allowed 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.527 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -117.98 90.85 3.42 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.728 0.299 . . . . 0.0 110.647 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -73.57 171.59 12.93 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.681 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.671 ' HA ' HD12 ' B' ' 32' ' ' LEU . 60.3 m-85 -57.93 -40.85 81.47 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.265 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.97 42.57 77.27 Favored Glycine 0 C--N 1.334 0.432 0 C-N-CA 120.997 -0.621 . . . . 0.0 113.09 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.587 HD23 ' HB3' ' A' ' 14' ' ' TYR . 3.3 pp -128.41 124.58 36.63 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.892 0.377 . . . . 0.0 110.781 179.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.483 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 2.6 mmm180 -81.7 115.61 21.03 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.746 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.534 HD23 ' CD1' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -93.97 139.51 30.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.909 0.385 . . . . 0.0 111.405 -179.769 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.53 ' HA ' HD11 ' B' ' 58' ' ' LEU . . . -140.37 172.22 13.04 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.935 179.506 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 99.2 p -132.16 145.69 51.53 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.888 0.375 . . . . 0.0 111.78 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -117.61 177.84 4.61 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.147 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.779 ' CG2' HD11 ' B' ' 18' ' ' LEU . 29.0 mm -131.94 141.68 44.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.239 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.433 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 10.1 p90 -149.64 178.57 8.73 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.376 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.2 t -102.54 124.78 56.74 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.112 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.2 tptt -78.3 -36.54 46.43 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.389 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -173.4 171.11 4.05 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.671 0.272 . . . . 0.0 111.453 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.418 HG12 ' HG3' ' A' ' 41' ' ' GLU . 7.5 mm -121.75 147.49 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.981 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.0 t -90.14 148.78 22.77 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.899 0.38 . . . . 0.0 111.211 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.3 mp0 -83.04 146.17 28.88 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.444 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.3 t0 57.92 34.15 24.0 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.987 -179.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.9 p -113.98 -178.98 3.51 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.821 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.795 HD11 ' HA ' ' B' ' 7' ' ' LYS . 13.8 mt -60.23 -41.09 92.38 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.18 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.23 -44.64 88.31 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.186 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.77 -35.8 77.53 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.281 179.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.1 ttt85 -73.73 -39.89 63.96 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.095 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.405 ' CG ' HD23 ' B' ' 5' ' ' LEU . 0.2 OUTLIER -77.17 -35.28 56.05 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.498 -179.787 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.32 49.09 59.28 Favored Glycine 0 C--N 1.334 0.454 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.79 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.657 ' HB2' HG13 ' B' ' 3' ' ' VAL . 80.9 m-20 -126.5 -46.8 1.59 Allowed 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.728 0.264 . . . . 0.0 111.602 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.53 ' CD1' HG11 ' B' ' 3' ' ' VAL . 3.3 mp -85.4 140.95 15.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-O 120.682 0.277 . . . . 0.0 111.314 -179.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -136.7 169.2 18.12 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.171 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.418 ' HG3' HG12 ' A' ' 27' ' ' ILE . 4.4 mt-10 -72.84 118.47 15.81 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.793 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.77 -9.87 48.25 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 120.917 -0.658 . . . . 0.0 113.268 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.38 140.01 46.83 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 117.042 0.421 . . . . 0.0 110.814 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 28.2 t -104.35 105.57 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.189 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.707 ' HA ' HG12 ' A' ' 76' ' ' VAL . 21.9 t -86.19 133.21 30.26 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.583 ' C ' HD22 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -119.05 -8.88 10.13 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 179.599 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.456 ' N ' HD13 ' A' ' 46' ' ' LEU . 1.5 mttt -153.76 144.35 22.47 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.697 0.284 . . . . 0.0 110.957 179.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.809 HD12 HD13 ' A' ' 64' ' ' LEU . 21.0 mt -135.29 118.73 24.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.547 179.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 45.8 m-20 56.96 34.75 25.4 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.103 -179.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.59 36.24 30.26 Favored Glycine 0 C--N 1.336 0.581 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.959 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.17 125.56 13.14 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.698 0.285 . . . . 0.0 110.732 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.484 HG12 ' H ' ' A' ' 54' ' ' GLU . 19.2 t -70.88 134.52 29.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.023 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.446 HG21 HD12 ' A' ' 48' ' ' ILE . 0.6 OUTLIER -113.35 37.26 3.25 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.301 179.823 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.484 ' H ' HG12 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -95.23 143.45 26.62 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.085 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.44 ' HB3' HD22 ' B' ' 58' ' ' LEU . 2.3 m120 67.3 9.89 7.32 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.939 -179.503 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -100.58 162.76 12.71 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.781 0.324 . . . . 0.0 111.291 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.5 m -73.91 147.15 43.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.609 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.7 tp -55.08 -31.13 60.96 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.801 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.08 -40.02 94.42 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.16 -43.07 87.22 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.781 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.55 -39.23 76.18 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.557 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.1 mtpt -64.16 -39.23 93.57 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.368 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.85 -40.76 98.44 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.209 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.809 HD13 HD12 ' A' ' 48' ' ' ILE . 0.7 OUTLIER -55.89 -35.04 66.09 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.691 0.282 . . . . 0.0 110.651 179.799 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 24.4 mt -74.17 -31.41 29.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.668 179.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -74.75 -41.51 59.96 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.91 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -64.6 -25.5 68.0 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.357 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.456 ' CB ' ' HG ' ' A' ' 72' ' ' LEU . 58.1 m -62.99 106.84 0.89 Allowed 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.848 0.356 . . . . 0.0 111.235 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.11 80.86 2.03 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.741 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 116.15 -94.81 0.66 Allowed Glycine 0 C--N 1.332 0.312 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.607 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 48.2 mttm -87.82 142.27 27.94 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 120.695 0.283 . . . . 0.0 111.181 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.735 HD12 ' CE2' ' B' ' 14' ' ' TYR . 0.5 OUTLIER -120.77 136.83 54.78 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 179.879 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -119.46 124.62 46.93 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.697 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 8.0 mtm -132.73 122.2 24.21 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.048 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.2 t -103.57 133.06 48.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.956 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.707 HG12 ' HA ' ' A' ' 45' ' ' VAL . 29.4 m -129.65 177.19 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.394 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -113.5 111.41 21.87 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.962 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.14 -175.98 2.95 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.02 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.65 124.09 30.47 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.39 -179.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -146.31 134.79 22.0 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.886 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.7 tp -123.65 -53.66 1.77 Allowed 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.809 -179.864 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 13.8 p . . . . . 0 N--CA 1.493 1.704 0 CA-C-O 120.691 0.281 . . . . 0.0 111.709 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 42.5 mttt -125.81 128.15 47.23 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.779 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . 0.657 HG13 ' HB2' ' A' ' 38' ' ' ASN . 33.5 t -103.5 129.7 55.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.012 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 29.2 m -127.8 108.85 11.07 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.8 0.333 . . . . 0.0 110.933 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.45 HD11 ' CD1' ' A' ' 39' ' ' ILE . 46.6 mt -102.85 153.67 19.96 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.641 179.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 15.6 t -125.99 99.94 6.32 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-O 120.835 0.35 . . . . 0.0 111.247 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.795 ' HA ' HD11 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -73.72 130.34 39.78 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 179.914 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 29.1 m -115.57 156.25 26.11 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.785 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 61.81 -173.01 0.14 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.09 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 pttm -109.03 -27.45 9.64 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.511 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 -95.93 39.32 1.14 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 120.742 0.306 . . . . 0.0 111.297 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -129.18 150.5 50.54 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.793 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -137.55 161.77 35.53 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.195 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . 0.735 ' CE2' HD12 ' A' ' 72' ' ' LEU . 69.9 m-85 -74.36 -31.76 62.52 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.118 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.73 45.21 96.23 Favored Glycine 0 C--N 1.335 0.51 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.955 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.517 HD23 ' HB3' ' B' ' 14' ' ' TYR . 2.2 pp -115.37 114.66 25.41 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.002 0.43 . . . . 0.0 110.777 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 2.2 ttm-85 -74.22 111.6 9.56 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.59 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.779 HD11 ' CG2' ' A' ' 22' ' ' ILE . 0.8 OUTLIER -97.4 134.23 40.93 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.611 -179.276 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.65 ' N ' HD13 ' B' ' 18' ' ' LEU . . . -133.34 165.06 25.7 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.562 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 84.1 p -126.13 148.73 49.32 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 121.081 0.467 . . . . 0.0 111.765 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' HIS . . . . . 0.408 ' O ' HD13 ' B' ' 22' ' ' ILE . 0.1 OUTLIER -119.38 179.09 4.3 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.792 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.43 HG13 ' HB ' ' B' ' 53' ' ' THR . 21.8 mm -132.68 141.9 43.85 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.12 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.454 ' O ' HD13 ' A' ' 18' ' ' LEU . 12.8 p90 -149.5 175.48 11.46 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.965 179.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.409 HG21 HG23 ' B' ' 39' ' ' ILE . 42.6 t -104.8 116.08 47.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.991 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.483 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 1.7 tptm -56.49 -46.97 80.22 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.415 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -171.98 172.68 4.65 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.892 0.377 . . . . 0.0 111.383 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . 0.586 ' CD1' HG22 ' B' ' 39' ' ' ILE . 5.7 mm -114.91 141.4 31.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.454 179.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 22.0 p -93.5 138.28 31.95 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.732 0.301 . . . . 0.0 110.539 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -69.78 151.57 45.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.291 -179.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 58.91 45.43 15.17 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.183 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 2.7 m -134.55 175.07 9.87 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.218 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.671 HD12 ' HA ' ' A' ' 14' ' ' TYR . 42.7 mt -55.43 -43.75 75.65 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.55 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.91 -48.0 83.47 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.631 0.253 . . . . 0.0 111.218 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.68 -35.39 80.4 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.215 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 -75.94 -41.05 52.82 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.32 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.16 -34.71 75.39 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.539 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.03 43.71 80.64 Favored Glycine 0 C--N 1.334 0.444 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.932 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.648 ' CB ' HG13 ' A' ' 3' ' ' VAL . 91.0 m-20 -123.55 -57.6 1.64 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.601 0.239 . . . . 0.0 111.06 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . 0.586 HG22 ' CD1' ' B' ' 27' ' ' ILE . 3.9 mt -68.9 134.96 29.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -121.34 171.15 8.96 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.418 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.432 ' HG3' HG12 ' B' ' 27' ' ' ILE . 1.2 mt-10 -81.04 99.95 8.73 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.057 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.27 6.36 36.44 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 121.017 -0.611 . . . . 0.0 114.124 179.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -65.18 142.06 58.46 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 117.548 0.674 . . . . 0.0 110.803 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.9 t -91.31 116.17 31.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.072 -179.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 20.8 t -94.04 137.54 22.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.229 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.422 HD11 ' HG3' ' B' ' 77' ' ' GLN . 1.2 mt -112.64 -39.86 4.21 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.072 179.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -135.41 153.36 51.82 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.862 0.363 . . . . 0.0 111.558 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.695 ' HB ' HD13 ' B' ' 64' ' ' LEU . 29.7 mt -139.24 124.87 22.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.592 179.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 53.28 35.04 19.13 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.356 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.42 33.75 42.66 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.836 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.81 133.86 20.36 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.729 0.264 . . . . 0.0 110.665 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.575 HG12 ' H ' ' B' ' 54' ' ' GLU . 13.2 t -76.35 136.09 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.958 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.43 ' HB ' HG13 ' B' ' 22' ' ' ILE . 0.7 OUTLIER -116.72 29.86 7.68 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.497 179.766 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . 0.575 ' H ' HG12 ' B' ' 52' ' ' VAL . 1.0 OUTLIER -85.68 146.45 26.83 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 178.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 4.9 m120 63.86 10.94 5.58 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.122 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -100.09 164.34 12.02 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-O 120.745 0.307 . . . . 0.0 110.906 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 43.4 p -77.03 153.27 34.62 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.557 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.53 HD11 ' HA ' ' A' ' 19' ' ' ALA . 21.2 tp -57.13 -29.29 63.44 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.674 179.542 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.33 -39.98 94.99 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.845 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -57.9 -47.98 81.22 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.837 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.8 -38.39 75.45 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.783 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -33.2 75.4 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.462 179.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.96 -43.34 92.99 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.99 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.695 HD13 ' HB ' ' B' ' 48' ' ' ILE . 2.6 mt -54.69 -37.32 65.65 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.893 0.378 . . . . 0.0 110.423 179.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . 0.466 ' HA ' HD11 ' B' ' 72' ' ' LEU . 27.7 mt -75.5 -30.91 22.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.937 179.328 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -75.69 -47.74 24.94 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.691 0.282 . . . . 0.0 110.804 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.5 -27.82 69.4 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.558 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 6.6 t -58.09 114.17 2.24 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.691 0.282 . . . . 0.0 111.189 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt -84.47 -33.6 23.59 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.198 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -139.31 -111.31 0.96 Allowed Glycine 0 C--N 1.337 0.619 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.815 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 25.8 ttmt -61.81 145.18 53.39 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.884 0.373 . . . . 0.0 111.558 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.61 HD12 ' CZ ' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -133.07 131.4 40.55 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.002 179.816 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.08 145.13 30.93 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.564 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 10.2 mtm -149.24 121.61 8.45 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.823 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 21.9 t -99.17 120.84 49.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 1' ' ' THR . 33.8 m -118.97 160.75 18.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.637 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . 0.422 ' HG3' HD11 ' B' ' 46' ' ' LEU . 0.4 OUTLIER -97.71 157.91 15.8 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.01 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 3.7 ttm180 68.75 172.25 0.29 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.046 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -158.59 154.24 26.25 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.298 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.32 -19.09 59.83 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.541 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.33 -37.54 87.4 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 120.558 0.218 . . . . 0.0 111.173 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.177 -0.916 . . . . 0.0 111.27 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.493 1.681 0 CA-C-O 120.522 0.201 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.549 ' HG3' HG22 ' B' ' 75' ' ' VAL . 0.0 OUTLIER -104.26 123.37 47.23 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.899 0.38 . . . . 0.0 111.178 -179.832 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.866 HG13 ' CB ' ' B' ' 38' ' ' ASN . 21.3 t -103.71 124.09 57.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.81 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.457 HG23 ' HG3' ' B' ' 73' ' ' LYS . 0.2 OUTLIER -127.82 113.22 15.66 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.846 0.355 . . . . 0.0 111.058 179.904 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.592 ' CD2' HG12 ' A' ' 3' ' ' VAL . 2.7 mm? -107.08 159.47 16.28 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.401 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.6 t -139.49 101.26 1.45 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-O 120.813 0.34 . . . . 0.0 111.285 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.603 ' HA ' HD11 ' B' ' 32' ' ' LEU . 15.9 ptpt -80.51 149.72 29.91 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.934 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.9 160.96 29.97 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.826 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.3 mmt180 -62.29 100.3 0.17 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 59.91 36.95 21.78 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.874 -179.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -164.74 153.7 12.84 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.84 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 58.94 84.31 0.11 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.326 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -75.53 171.4 14.35 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.233 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.81 ' HB3' HD23 ' A' ' 16' ' ' LEU . 67.3 m-85 -72.52 -38.96 67.93 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.454 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.15 49.51 74.91 Favored Glycine 0 C--N 1.335 0.506 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.526 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.81 HD23 ' HB3' ' A' ' 14' ' ' TYR . 3.0 pp -121.97 132.09 54.35 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.774 0.321 . . . . 0.0 110.88 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.491 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 1.2 mmt180 -90.0 114.21 26.02 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.76 HD11 HG23 ' B' ' 22' ' ' ILE . 0.8 OUTLIER -103.29 133.89 47.6 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.89 -179.906 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.674 ' N ' HD13 ' A' ' 18' ' ' LEU . . . -138.34 165.14 27.52 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.167 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 88.6 p -131.82 151.32 51.76 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.204 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.469 ' HD2' ' CE1' ' B' ' 23' ' ' PHE . 0.2 OUTLIER -115.9 177.84 4.53 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 179.857 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.4 mm -133.16 114.19 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.71 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.763 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 19.7 p90 -118.35 -175.98 2.98 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 120.814 0.34 . . . . 0.0 111.279 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -95.65 118.13 41.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 120.885 0.374 . . . . 0.0 111.596 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.484 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 23.3 tptm -74.97 -38.08 61.77 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.139 179.489 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -175.02 174.02 2.55 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.895 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.2 mp -139.89 136.37 38.69 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.754 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.9 m -87.76 150.8 23.36 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.236 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -79.74 161.17 25.91 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.828 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 59.56 28.0 17.31 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.174 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.2 m -118.15 169.68 9.49 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.848 0.356 . . . . 0.0 110.966 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' B' ' 14' ' ' TYR . 5.3 mt -59.14 -38.49 79.8 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.177 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.95 -45.12 95.08 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.569 0.223 . . . . 0.0 111.01 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.6 -39.43 88.37 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.903 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.34 -39.99 67.72 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.965 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -69.31 -36.83 77.39 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.049 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.72 28.78 73.95 Favored Glycine 0 C--N 1.334 0.434 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.669 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.615 ' HB3' HG13 ' B' ' 3' ' ' VAL . 4.2 m-80 -108.75 -23.49 11.75 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.758 0.279 . . . . 0.0 111.739 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.709 ' CD1' HD11 ' B' ' 5' ' ' LEU . 1.7 mp -108.36 100.89 11.69 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-O 120.758 0.313 . . . . 0.0 110.889 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.16 152.86 23.99 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.666 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -58.88 128.62 38.11 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.832 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.34 -23.97 31.55 Favored Glycine 0 CA--C 1.522 0.521 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.929 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.95 132.42 53.97 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.838 0.319 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 20.2 t -96.93 122.71 48.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.273 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.5 t -94.54 144.74 9.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.05 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.506 HD11 ' HB2' ' A' ' 77' ' ' GLN . 5.8 mp -119.19 -36.98 3.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.497 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.48 ' O ' HD13 ' A' ' 48' ' ' ILE . 0.3 OUTLIER -129.13 150.08 50.67 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 121.028 0.442 . . . . 0.0 111.876 -179.334 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.652 ' HB ' HD13 ' A' ' 64' ' ' LEU . 8.9 mm -131.23 110.03 17.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.396 179.431 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 56.54 35.26 25.75 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.404 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.17 25.84 42.73 Favored Glycine 0 CA--C 1.521 0.452 0 C-N-CA 120.865 -0.683 . . . . 0.0 113.131 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -140.32 122.55 15.86 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.854 0.327 . . . . 0.0 110.46 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.538 HG12 ' H ' ' A' ' 54' ' ' GLU . 22.7 t -67.45 133.85 30.98 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.137 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.056 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -112.93 36.45 3.48 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.169 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.538 ' H ' HG12 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -89.91 142.05 28.07 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.23 179.249 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.624 ' HB3' HD22 ' B' ' 58' ' ' LEU . 1.3 m120 65.62 12.18 8.05 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.863 -179.641 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -98.4 163.73 12.58 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.899 0.38 . . . . 0.0 110.994 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.3 p -76.99 151.48 35.62 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.8 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.433 HD11 ' HA ' ' B' ' 19' ' ' ALA . 12.5 tp -58.66 -27.74 65.05 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.913 179.641 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.37 -40.53 81.4 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.365 179.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -55.52 -39.91 71.14 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.591 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.63 -41.09 85.15 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.008 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -60.93 -38.48 85.98 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.971 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.74 -46.65 84.19 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.195 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.652 HD13 ' HB ' ' A' ' 48' ' ' ILE . 1.3 mt -56.89 -36.49 70.19 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.558 179.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 28.2 mt -74.05 -31.43 30.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.493 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -71.7 -44.82 63.54 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.922 179.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -61.4 -28.46 69.26 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.46 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.439 ' CB ' ' HG ' ' A' ' 72' ' ' LEU . 43.1 m -62.93 90.51 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 120.846 0.355 . . . . 0.0 110.959 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.22 -27.58 64.59 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.197 -179.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -143.08 -79.13 0.05 OUTLIER Glycine 0 C--N 1.335 0.493 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.936 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.57 148.18 27.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.823 0.344 . . . . 0.0 111.276 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.465 HD12 ' CZ ' ' B' ' 14' ' ' TYR . 0.5 OUTLIER -130.39 139.82 50.62 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.694 179.917 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -126.7 132.91 51.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.854 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.6 mtp -142.67 129.45 20.47 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.856 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 22.0 t -100.77 125.54 54.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.791 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.409 HG23 ' HB ' ' B' ' 1' ' ' THR . 31.3 m -113.57 179.51 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.65 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.506 ' HB2' HD11 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -126.05 149.28 48.99 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.277 -179.799 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.8 -48.47 0.25 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.195 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.4 t70 71.54 80.55 0.15 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.994 0.426 . . . . 0.0 111.15 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -107.06 -32.27 7.92 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.519 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.59 98.51 9.64 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 120.75 0.309 . . . . 0.0 110.773 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.102 -0.951 . . . . 0.0 111.189 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' THR . . . . . 0.409 ' HB ' HG23 ' A' ' 76' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 120.79 0.329 . . . . 0.0 111.327 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -134.59 137.08 43.43 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . 0.615 HG13 ' HB3' ' A' ' 38' ' ' ASN . 26.2 t -118.66 126.05 74.89 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 3.1 m -128.87 106.11 8.68 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.893 0.378 . . . . 0.0 110.939 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.709 HD11 ' CD1' ' A' ' 39' ' ' ILE . 82.9 mt -96.32 146.31 24.84 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.779 179.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 23.1 t -120.88 101.12 10.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.153 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -85.27 114.75 22.6 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.398 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.85 -71.05 0.76 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.322 -179.479 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.24 136.37 40.96 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.95 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.54 -31.53 72.31 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.017 179.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -63.66 -32.25 73.67 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.198 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -97.15 119.19 35.18 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.86 0.362 . . . . 0.0 110.771 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.74 167.74 9.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.794 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . 0.469 ' HA ' HD12 ' A' ' 32' ' ' LEU . 69.6 m-85 -57.93 -36.89 73.13 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.197 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.02 45.54 95.07 Favored Glycine 0 C--N 1.337 0.606 0 C-N-CA 121.124 -0.56 . . . . 0.0 112.756 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.605 ' O ' HD12 ' B' ' 16' ' ' LEU . 2.2 pp -120.81 128.06 52.51 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-O 120.934 0.397 . . . . 0.0 111.185 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.685 ' C ' HD23 ' B' ' 18' ' ' LEU . 0.0 OUTLIER -101.56 137.74 39.48 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.339 179.663 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.685 HD23 ' C ' ' B' ' 17' ' ' ARG . 0.9 OUTLIER -120.4 169.19 10.54 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 121.688 0.756 . . . . 0.0 111.77 179.664 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.763 ' HB3' ' CZ ' ' A' ' 23' ' ' PHE . . . -157.67 160.73 38.3 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.258 -1.337 . . . . 0.0 109.756 178.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 71.6 p -117.62 143.4 46.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.14 0.495 . . . . 0.0 111.997 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' HIS . . . . . 0.438 ' HD2' ' CE1' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -113.25 179.8 3.86 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.29 179.561 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.76 HG23 HD11 ' A' ' 18' ' ' LEU . 28.3 mm -132.63 138.11 52.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.684 0.278 . . . . 0.0 111.177 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.567 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 10.9 p90 -148.91 174.65 12.02 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.116 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.2 t -106.48 115.08 47.3 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.13 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.025 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.491 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 2.4 tptm -63.06 -41.05 99.36 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.235 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.416 ' CG ' ' HG3' ' A' ' 17' ' ' ARG . 11.0 pt-20 -179.25 172.95 1.17 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.059 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . 0.557 HG23 ' HB3' ' B' ' 33' ' ' ALA . 3.0 mp -124.04 140.99 45.77 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.945 179.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 15.6 m -72.13 152.85 42.03 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.221 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -76.37 137.56 39.88 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.592 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.03 32.09 21.51 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.288 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.8 170.67 8.01 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.588 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.603 HD11 ' HA ' ' A' ' 7' ' ' LYS . 67.1 mt -55.42 -42.8 74.63 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.55 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.578 ' CB ' HD12 ' B' ' 39' ' ' ILE . . . -64.88 -51.9 59.44 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.383 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.52 -34.74 78.93 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.059 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 5.1 ttp85 -74.05 -41.79 61.24 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.99 -31.16 70.66 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.291 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.98 34.3 70.81 Favored Glycine 0 C--N 1.334 0.434 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.696 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.866 ' CB ' HG13 ' A' ' 3' ' ' VAL . 85.6 m-20 -112.76 -38.39 4.58 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.769 0.285 . . . . 0.0 111.453 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . 0.752 ' CG1' HG11 ' A' ' 3' ' ' VAL . 22.6 mt -93.18 135.26 28.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-O 120.709 0.29 . . . . 0.0 111.176 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -128.34 152.83 47.69 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -63.62 121.16 13.23 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.643 179.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.39 -16.94 54.68 Favored Glycine 0 CA--C 1.523 0.564 0 C-N-CA 120.726 -0.75 . . . . 0.0 113.176 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . 0.556 ' HB3' HG11 ' B' ' 76' ' ' VAL . 1.0 OUTLIER -53.46 122.83 10.5 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.907 0.354 . . . . 0.0 110.914 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 24.2 t -83.76 107.92 15.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . 0.448 ' HA ' HG12 ' B' ' 76' ' ' VAL . 21.2 t -76.54 136.19 25.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.144 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.36 -42.4 4.14 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.953 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -137.39 151.06 48.15 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.809 0.337 . . . . 0.0 111.438 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.777 ' HB ' HD13 ' B' ' 64' ' ' LEU . 21.3 mt -132.64 121.54 45.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.32 179.39 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 58.46 33.61 23.26 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.018 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.25 33.93 38.47 Favored Glycine 0 CA--C 1.523 0.556 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.764 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -146.06 131.9 19.08 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.782 0.291 . . . . 0.0 110.964 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.645 HG12 ' H ' ' B' ' 54' ' ' GLU . 17.4 t -64.72 146.29 13.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.836 179.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.431 ' HB ' HG13 ' B' ' 22' ' ' ILE . 1.7 m -128.55 24.46 5.8 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.543 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . 0.645 ' H ' HG12 ' B' ' 52' ' ' VAL . 3.7 tt0 -93.33 145.49 24.42 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.712 0.291 . . . . 0.0 110.289 179.238 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 2.2 m120 66.0 8.44 5.42 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 115.881 -0.599 . . . . 0.0 112.238 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.28 168.0 9.38 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.815 0.34 . . . . 0.0 111.028 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 51.5 p -74.88 146.22 42.07 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.633 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.624 HD22 ' HB3' ' A' ' 55' ' ' ASN . 9.2 tp -56.78 -31.4 64.6 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.684 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.32 -38.75 84.66 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.657 179.599 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -60.23 -43.32 96.15 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.8 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.46 -36.65 78.75 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.628 179.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -68.05 -32.76 73.33 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.02 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.33 -47.0 87.05 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.985 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.777 HD13 ' HB ' ' B' ' 48' ' ' ILE . 6.1 mt -58.81 -35.2 72.48 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.74 0.305 . . . . 0.0 110.421 179.472 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . 0.465 HG23 HD11 ' B' ' 72' ' ' LEU . 33.1 mt -74.99 -27.72 20.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.664 179.176 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.83 -39.69 34.83 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.815 0.34 . . . . 0.0 110.86 179.461 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' ARG . . . . . 0.571 HH12 HD23 ' B' ' 64' ' ' LEU . 7.9 ttp-105 -82.3 -3.94 56.25 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.073 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . 0.45 ' CB ' ' HG ' ' B' ' 72' ' ' LEU . 89.3 p -55.73 113.94 1.68 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.889 0.376 . . . . 0.0 111.22 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 6.4 mtmt -85.38 65.0 8.97 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.154 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . 0.478 ' HA2' ' HG3' ' A' ' 7' ' ' LYS . . . 86.73 -65.42 3.77 Favored Glycine 0 C--N 1.335 0.504 0 C-N-CA 121.125 -0.559 . . . . 0.0 112.771 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 12.6 pttt -89.61 118.0 28.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.929 0.395 . . . . 0.0 111.712 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.802 HD12 ' CE2' ' A' ' 14' ' ' TYR . 0.6 OUTLIER -103.05 147.09 27.4 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.002 179.611 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . 0.457 ' HG3' HG23 ' A' ' 4' ' ' THR . 0.7 OUTLIER -125.49 129.76 50.42 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.433 179.307 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.426 ' SD ' HG21 ' B' ' 45' ' ' VAL . 0.1 OUTLIER -143.48 119.82 10.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.71 -179.892 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.549 HG22 ' HG3' ' A' ' 2' ' ' LYS . 21.7 t -104.43 118.32 51.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.11 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.556 HG11 ' HB3' ' B' ' 43' ' ' ASP . 9.6 m -109.04 158.35 8.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.383 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -102.36 147.41 26.73 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.157 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 1.5 ttp85 -89.48 156.96 18.31 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.998 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.74 147.0 35.33 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.757 179.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 73.26 -62.99 0.45 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.497 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.8 mp 70.43 130.69 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.006 0.431 . . . . 0.0 111.366 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.122 -0.942 . . . . 0.0 110.859 -179.819 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 120.888 0.375 . . . . 0.0 111.215 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -108.37 136.62 47.7 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.882 HG11 ' CD1' ' B' ' 39' ' ' ILE . 22.7 t -117.2 126.58 74.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.935 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.412 HG23 ' HG3' ' B' ' 73' ' ' LYS . 0.2 OUTLIER -128.85 112.18 13.86 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.832 0.348 . . . . 0.0 110.942 179.651 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.544 ' CD2' HG12 ' A' ' 3' ' ' VAL . 3.7 mm? -102.08 155.73 18.0 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.78 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 18.1 t -125.3 98.72 5.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-O 120.765 0.317 . . . . 0.0 110.87 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.58 ' HA ' HD11 ' B' ' 32' ' ' LEU . 0.0 OUTLIER -73.13 125.59 28.06 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.059 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.5 t -86.93 141.45 28.72 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.672 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.29 103.64 0.13 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.045 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.0 pttp 44.57 35.07 1.26 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.727 -179.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -116.59 -39.86 3.27 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.511 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -158.66 123.91 4.32 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.068 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.41 172.97 13.06 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.94 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.786 ' HB3' HD23 ' A' ' 16' ' ' LEU . 36.3 m-85 -67.79 -44.89 76.33 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.526 -179.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.0 37.54 94.76 Favored Glycine 0 C--N 1.334 0.458 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.958 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.786 HD23 ' HB3' ' A' ' 14' ' ' TYR . 2.6 pp -118.83 117.03 27.77 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.968 0.413 . . . . 0.0 110.737 179.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.52 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -77.73 105.1 8.67 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.788 -179.775 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.608 HD11 ' CG2' ' B' ' 22' ' ' ILE . 0.2 OUTLIER -89.86 141.79 28.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.298 -179.722 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.565 ' HB2' ' HB2' ' B' ' 25' ' ' LYS . . . -143.09 172.9 12.09 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.093 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.494 ' CB ' HD13 ' B' ' 58' ' ' LEU . 59.1 p -131.46 145.04 51.6 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.948 0.404 . . . . 0.0 111.435 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -109.94 171.66 7.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.858 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.801 HG13 HG22 ' A' ' 53' ' ' THR . 27.9 mm -133.8 133.9 56.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.87 179.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.452 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 10.2 p90 -145.5 177.98 8.45 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.181 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 50.4 t -106.02 113.22 42.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.963 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.445 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 0.5 OUTLIER -55.8 -42.88 76.29 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.449 179.469 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -173.2 174.1 3.46 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.831 0.348 . . . . 0.0 111.255 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.559 ' CD1' HG22 ' A' ' 39' ' ' ILE . 7.2 mm -110.92 134.46 53.14 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.818 179.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.25 147.33 28.99 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.908 0.385 . . . . 0.0 111.082 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.09 148.56 41.76 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.076 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 56.7 37.77 29.04 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.922 -179.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.42 ' CB ' ' HA3' ' B' ' 15' ' ' GLY . 41.4 m -117.3 170.03 9.01 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.193 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.449 HD12 ' HA ' ' B' ' 14' ' ' TYR . 5.6 mt -59.4 -40.84 87.92 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.347 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.438 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -58.34 -38.58 77.47 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.652 0.263 . . . . 0.0 111.13 179.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.76 -34.99 77.9 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.254 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.83 -44.14 23.67 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.059 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -62.23 -38.85 90.8 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.464 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.26 39.68 71.1 Favored Glycine 0 C--N 1.334 0.453 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.749 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.706 ' HB3' HG22 ' B' ' 3' ' ' VAL . 8.1 m-80 -122.93 -50.5 1.94 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.672 0.273 . . . . 0.0 110.93 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.801 HD11 HD11 ' B' ' 5' ' ' LEU . 23.3 mt -74.11 119.14 20.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.587 179.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -108.51 171.13 7.59 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.279 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.35 102.15 5.8 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.99 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.76 6.27 37.91 Favored Glycine 0 CA--C 1.523 0.57 0 C-N-CA 121.141 -0.552 . . . . 0.0 114.053 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -61.64 139.78 58.24 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 117.511 0.656 . . . . 0.0 110.958 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.0 t -95.07 111.52 25.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.805 -179.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.3 t -81.95 138.25 19.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-O 120.894 0.378 . . . . 0.0 111.244 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.577 HD21 ' NE2' ' A' ' 77' ' ' GLN . 4.9 mp -109.23 -41.02 4.77 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.187 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.0 mttp -142.89 161.92 36.84 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.905 0.383 . . . . 0.0 112.019 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.426 HG22 ' ND2' ' A' ' 49' ' ' ASN . 27.9 mt -139.81 121.57 15.86 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.757 179.439 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.426 ' ND2' HG22 ' A' ' 48' ' ' ILE . 20.0 p30 43.01 38.06 1.33 Allowed 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.969 -179.548 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 83.95 40.3 8.82 Favored Glycine 0 C--N 1.336 0.543 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.788 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.9 m -147.53 131.68 17.36 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.693 0.247 . . . . 0.0 110.499 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.3 t -63.39 139.33 21.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 120.618 0.247 . . . . 0.0 110.964 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.801 HG22 HG13 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -114.19 40.68 2.45 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.084 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -121.01 143.28 49.13 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 178.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.434 ' OD1' ' HB1' ' A' ' 19' ' ' ALA . 4.2 m-80 69.25 6.42 5.66 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.464 -178.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.2 ttm -93.19 146.75 23.45 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.712 0.292 . . . . 0.0 110.85 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.0 t -69.93 146.95 50.81 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.8 179.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 60.3 tp -55.98 -32.19 63.7 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.825 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.434 ' O ' ' HG2' ' A' ' 62' ' ' LYS . 0.3 OUTLIER -73.01 -46.3 52.89 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.655 179.696 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -55.49 -35.56 65.7 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 120.709 0.29 . . . . 0.0 110.469 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.91 -35.27 80.62 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.693 179.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 59' ' ' THR . 1.1 ptmt -64.13 -35.11 79.71 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.397 179.145 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.84 -41.93 91.13 Favored 'General case' 0 C--O 1.23 0.064 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.02 179.519 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.04 -35.65 64.7 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.601 179.58 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 36.7 mt -69.24 -31.51 50.11 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 179.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -77.17 -38.89 50.76 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.794 0.33 . . . . 0.0 110.632 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -61.99 -27.87 69.17 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.592 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 80.3 p -54.24 109.42 0.48 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 121.014 0.435 . . . . 0.0 111.215 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -61.48 -37.74 84.74 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.28 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -162.02 -67.99 0.02 OUTLIER Glycine 0 C--N 1.335 0.482 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.457 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -81.56 133.02 35.33 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.848 0.356 . . . . 0.0 110.785 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.719 HD12 ' CE2' ' B' ' 14' ' ' TYR . 0.4 OUTLIER -118.24 117.73 29.92 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.956 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -103.82 130.33 51.36 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.609 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.419 ' HG2' HG23 ' A' ' 48' ' ' ILE . 40.1 mtm -142.81 129.03 19.85 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.614 -0.267 . . . . 0.0 110.99 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.8 t -99.05 126.4 52.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.715 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.3 m -113.97 168.34 6.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.928 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.577 ' NE2' HD21 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -93.64 159.11 15.36 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.005 179.793 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 71.15 146.2 0.07 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.396 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -115.49 110.36 19.17 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.858 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -127.24 83.6 2.18 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.586 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.429 ' O ' ' HB2' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -150.76 167.63 26.85 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.206 -179.685 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' ' 81' ' ' LEU . 36.6 mt-10 . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.156 -0.926 . . . . 0.0 111.533 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 79.3 p . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 120.884 0.373 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.97 125.82 47.18 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.429 -179.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . 0.706 HG22 ' HB3' ' A' ' 38' ' ' ASN . 23.5 t -103.92 111.14 32.43 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.608 179.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 36.7 m -113.17 105.78 13.86 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.798 0.332 . . . . 0.0 110.655 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.801 HD11 HD11 ' A' ' 39' ' ' ILE . 26.6 mt -105.22 159.18 16.07 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.875 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 19.7 t -133.19 101.71 4.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.674 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.528 ' HB2' ' CE1' ' B' ' 14' ' ' TYR . 0.0 OUTLIER -82.86 100.43 10.34 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.463 -179.661 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.74 34.17 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.415 179.523 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 175.47 -177.64 0.11 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.776 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 69.37 -74.27 0.08 Allowed 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.211 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 18.1 m-20 -158.88 28.28 0.22 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.854 -0.157 . . . . 0.0 111.196 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 41.37 35.61 0.44 Allowed 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.039 0.447 . . . . 0.0 111.39 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -142.48 135.68 28.64 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.755 -179.527 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . 0.719 ' CE2' HD12 ' A' ' 72' ' ' LEU . 82.5 m-85 -72.11 -28.2 63.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.237 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.42 ' HA3' ' CB ' ' A' ' 31' ' ' SER . . . 61.3 45.7 95.94 Favored Glycine 0 C--N 1.336 0.548 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.904 179.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.663 HD23 ' HB3' ' B' ' 14' ' ' TYR . 2.0 pp -120.87 114.01 20.96 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.0 0.428 . . . . 0.0 110.687 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.445 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -71.55 109.34 5.43 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.249 179.832 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.746 HD11 ' CG2' ' A' ' 22' ' ' ILE . 0.4 OUTLIER -93.54 137.95 32.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.048 0.451 . . . . 0.0 111.79 -179.133 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.603 ' N ' HD13 ' B' ' 18' ' ' LEU . . . -136.08 176.18 8.93 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.742 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 87.6 p -137.64 148.94 46.19 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.011 0.434 . . . . 0.0 111.934 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' HIS . . . . . 0.415 ' HD2' ' CE1' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -122.74 177.91 5.25 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.815 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.608 ' CG2' HD11 ' A' ' 18' ' ' LEU . 22.7 mm -131.81 137.9 53.97 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-O 120.76 0.314 . . . . 0.0 111.244 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.454 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 12.7 p90 -149.28 -178.14 6.23 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.39 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 15.2 t -107.83 113.14 42.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.747 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.565 ' HB2' ' HB2' ' A' ' 19' ' ' ALA . 12.5 tptt -60.98 -40.73 94.57 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.385 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.429 ' HA ' ' HG2' ' B' ' 41' ' ' GLU . 0.4 OUTLIER -173.1 174.67 3.38 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.757 0.313 . . . . 0.0 111.353 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . 0.654 ' CD1' HG22 ' B' ' 39' ' ' ILE . 7.9 mm -123.58 132.97 70.47 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.63 179.581 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 3.6 m -81.61 136.84 35.54 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.759 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -67.15 146.41 54.27 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.967 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 57.55 48.32 14.56 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 121.03 0.443 . . . . 0.0 110.688 -179.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 24.2 m -126.52 174.82 8.36 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.959 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.58 HD11 ' HA ' ' A' ' 7' ' ' LYS . 17.1 mt -60.81 -36.52 79.25 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.385 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.693 ' HB1' ' HB ' ' B' ' 39' ' ' ILE . . . -67.75 -36.25 80.2 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 120.517 0.199 . . . . 0.0 111.165 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.87 -51.1 52.02 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.133 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' B' ' 32' ' ' LEU . 0.0 OUTLIER -66.18 -38.77 88.85 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.955 179.626 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . 0.412 ' HB2' ' O ' ' B' ' 32' ' ' LEU . 16.0 t70 -62.83 -37.08 85.37 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.077 179.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.69 40.5 85.53 Favored Glycine 0 C--N 1.334 0.459 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.77 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.619 ' CB ' HG13 ' A' ' 3' ' ' VAL . 4.8 m-80 -127.85 -49.26 1.36 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.665 0.232 . . . . 0.0 111.159 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . 0.882 ' CD1' HG11 ' A' ' 3' ' ' VAL . 38.6 mm -79.77 119.61 29.51 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.053 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -121.74 169.53 10.64 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.987 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.429 ' HG2' ' HA ' ' B' ' 26' ' ' GLU . 10.1 mt-10 -75.41 119.43 19.49 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.778 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.89 -13.93 52.86 Favored Glycine 0 CA--C 1.523 0.568 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.949 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.33 130.45 39.06 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.803 0.302 . . . . 0.0 111.173 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 22.1 t -96.93 97.79 6.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.719 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . 0.401 HG22 HG12 ' B' ' 76' ' ' VAL . 30.0 t -80.12 111.3 16.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.163 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.4 -38.79 34.02 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.487 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . 0.749 ' CG ' HG22 ' B' ' 52' ' ' VAL . 2.0 mtpt -130.87 148.51 52.65 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.733 0.302 . . . . 0.0 111.382 -179.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.563 HG23 ' HG2' ' B' ' 74' ' ' MET . 36.1 mt -136.18 121.13 26.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.599 179.539 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 59.64 37.01 22.63 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.276 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.77 27.47 66.99 Favored Glycine 0 C--N 1.336 0.575 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.732 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.13 125.42 14.68 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.503 0.192 . . . . 0.0 110.553 -179.527 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.749 HG22 ' CG ' ' B' ' 47' ' ' LYS . 20.6 t -73.37 134.02 30.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.475 179.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.404 ' HB ' HG13 ' B' ' 22' ' ' ILE . 0.8 OUTLIER -110.38 34.73 3.76 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.943 179.836 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . 0.548 ' H ' HG12 ' B' ' 52' ' ' VAL . 0.4 OUTLIER -88.42 143.42 27.0 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.024 179.065 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 6.0 m120 62.22 16.56 8.5 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.743 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -108.95 169.73 8.49 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.751 0.31 . . . . 0.0 111.129 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.3 t -74.27 142.68 45.25 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.583 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.494 HD13 ' CB ' ' A' ' 20' ' ' SER . 44.6 tp -58.31 -33.09 69.09 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.711 179.529 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . 0.446 ' O ' ' HG2' ' B' ' 62' ' ' LYS . 0.2 OUTLIER -63.55 -41.6 98.42 Favored 'General case' 0 N--CA 1.46 0.045 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.761 179.63 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -55.75 -36.92 67.82 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 120.64 0.257 . . . . 0.0 110.482 179.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.39 -35.15 80.07 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.805 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . 0.499 ' HA ' HD12 ' B' ' 65' ' ' ILE . 1.1 pttp -64.72 -34.89 79.39 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.389 179.179 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.07 -40.97 97.43 Favored 'General case' 0 N--CA 1.46 0.049 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.042 179.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.539 HD13 ' HB ' ' B' ' 48' ' ' ILE . 6.7 mt -55.23 -39.67 69.97 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.514 179.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . 0.629 ' HA ' HD11 ' B' ' 72' ' ' LEU . 12.7 mt -69.23 -32.49 53.95 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.858 179.294 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -76.36 -41.03 49.48 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.753 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 4.5 ttt85 -60.22 -31.04 69.8 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.363 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 12.0 t -54.15 107.54 0.28 Allowed 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.872 0.368 . . . . 0.0 111.287 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.58 -33.03 66.46 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.894 179.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -143.76 -85.06 0.07 OUTLIER Glycine 0 C--N 1.337 0.628 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.673 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.82 152.39 22.14 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.918 0.389 . . . . 0.0 111.482 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.701 HD12 ' CE2' ' A' ' 14' ' ' TYR . 0.4 OUTLIER -125.02 151.16 45.94 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.011 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . 0.453 ' H ' HD23 ' B' ' 72' ' ' LEU . 32.1 mttt -121.61 139.13 53.93 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.628 179.513 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.563 ' HG2' HG23 ' B' ' 48' ' ' ILE . 8.6 mtm -147.94 123.73 10.57 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.782 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 21.9 t -101.99 117.91 48.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.754 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.401 HG12 HG22 ' B' ' 45' ' ' VAL . 31.4 m -100.48 150.25 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.442 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -110.9 142.84 42.43 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.143 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . 0.498 ' HB3' HD21 ' B' ' 81' ' ' LEU . 63.9 mtt180 -128.51 112.72 14.63 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.129 179.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . 0.413 ' C ' HD23 ' B' ' 81' ' ' LEU . 20.1 t0 -141.38 145.42 35.34 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.773 179.545 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 59.95 62.69 1.6 Allowed 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.876 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.498 HD21 ' HB3' ' B' ' 78' ' ' ARG . 0.4 OUTLIER -141.36 71.84 1.37 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.892 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.183 0 CA-C-O 118.494 -0.765 . . . . 0.0 110.836 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 28.5 p . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 120.809 0.337 . . . . 0.0 111.271 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.9 mtpp -129.05 133.76 47.84 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.9 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.883 HG13 ' HB2' ' B' ' 38' ' ' ASN . 39.6 t -103.4 125.93 57.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.4 m -128.89 105.88 8.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.679 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 67.2 mt -102.48 155.32 18.34 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.034 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.443 ' O ' HD22 ' B' ' 32' ' ' LEU . 21.3 t -124.97 99.56 6.27 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 CA-C-O 120.889 0.376 . . . . 0.0 111.172 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.454 ' HB2' ' CE1' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -81.25 127.99 33.3 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.075 179.86 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.9 m -117.82 116.97 28.06 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.913 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.42 -179.25 0.17 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.04 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -100.43 29.13 4.56 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.101 179.575 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -102.38 -35.89 8.64 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.161 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -120.29 104.97 10.48 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.91 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.07 168.62 13.12 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.772 179.614 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.793 ' HB3' HD23 ' A' ' 16' ' ' LEU . 48.8 m-85 -61.36 -27.7 68.7 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.077 179.631 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.52 33.45 59.0 Favored Glycine 0 C--N 1.337 0.62 0 C-N-CA 121.29 -0.481 . . . . 0.0 113.283 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.793 HD23 ' HB3' ' A' ' 14' ' ' TYR . 2.7 pp -107.58 115.58 30.4 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.945 0.402 . . . . 0.0 110.478 179.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.517 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 0.1 OUTLIER -72.32 108.37 5.42 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.552 -179.879 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.741 HD11 HG23 ' B' ' 22' ' ' ILE . 1.0 OUTLIER -96.69 127.42 42.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 -179.542 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.628 ' N ' HD13 ' A' ' 18' ' ' LEU . . . -135.04 165.62 24.93 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.968 179.7 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.413 ' OG ' ' HA ' ' A' ' 55' ' ' ASN . 56.6 p -119.31 152.67 36.34 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.87 0.366 . . . . 0.0 111.156 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.438 ' HD2' ' CE1' ' B' ' 23' ' ' PHE . 0.1 OUTLIER -117.87 177.56 4.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.783 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 28.5 mm -132.85 126.83 54.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.881 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.825 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 21.6 p90 -129.79 174.67 9.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.595 HG21 HG23 ' A' ' 39' ' ' ILE . 25.3 t -98.21 111.89 29.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.09 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.494 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 8.5 tptt -67.65 -36.89 81.58 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.359 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -174.02 176.57 2.54 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.838 0.352 . . . . 0.0 111.229 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.548 HG21 ' HB3' ' A' ' 33' ' ' ALA . 3.6 mp -141.02 136.54 33.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.741 179.461 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.8 m -68.47 152.31 45.57 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.844 0.354 . . . . 0.0 111.251 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -79.02 144.06 35.05 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.927 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 57.13 32.13 21.18 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.23 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.1 p -99.75 -178.3 3.83 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.839 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.4 mt -59.96 -35.18 74.43 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.071 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.63 ' HB2' ' CD2' ' B' ' 16' ' ' LEU . . . -70.17 -38.77 75.48 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.087 179.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.06 -42.78 95.24 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.765 0.317 . . . . 0.0 111.033 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -35.36 69.02 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.72 179.401 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -73.36 -38.16 65.81 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.431 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.9 34.93 91.23 Favored Glycine 0 C--N 1.335 0.501 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.506 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.721 ' HB3' HG22 ' B' ' 3' ' ' VAL . 5.6 m-80 -112.33 -27.22 8.39 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.595 HG23 HG21 ' A' ' 24' ' ' VAL . 3.0 mt -107.59 132.73 54.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 120.646 0.26 . . . . 0.0 111.283 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -134.42 159.95 39.5 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -60.48 120.11 9.32 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.788 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.31 -16.76 44.88 Favored Glycine 0 CA--C 1.523 0.558 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.859 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.22 144.57 19.7 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 120.747 0.308 . . . . 0.0 111.347 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.5 t -108.45 122.4 62.91 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.023 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.9 t -93.1 130.65 41.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.399 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.04 -45.24 5.73 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.708 179.467 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.9 mtpt -137.58 153.42 49.94 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.392 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 30.4 mt -136.9 120.78 22.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.619 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 57.69 35.38 25.55 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.212 -179.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.92 31.18 54.31 Favored Glycine 0 CA--C 1.522 0.493 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.901 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.61 131.65 20.43 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.679 0.239 . . . . 0.0 110.706 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.44 HG12 ' H ' ' A' ' 54' ' ' GLU . 6.4 t -67.42 143.91 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.687 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.27 31.46 6.67 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.454 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.44 ' H ' HG12 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -88.76 148.71 23.81 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 120.717 0.294 . . . . 0.0 110.32 179.19 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.521 ' HB2' HD22 ' B' ' 58' ' ' LEU . 6.6 p30 53.19 17.24 0.94 Allowed 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.67 -0.696 . . . . 0.0 112.145 -179.334 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.1 ttm -95.03 142.88 26.99 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.652 0.263 . . . . 0.0 110.595 179.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.37 143.85 48.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.829 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.761 HD11 ' HA ' ' B' ' 19' ' ' ALA . 1.1 tp -53.13 -33.23 51.46 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.021 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.18 -40.8 64.52 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.757 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -55.43 -41.92 73.46 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.243 179.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.53 -36.63 78.89 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.555 179.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 63' ' ' THR . 0.0 OUTLIER -62.41 -32.94 73.86 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.658 179.312 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.424 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 0.2 OUTLIER -63.06 -41.84 99.55 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.97 179.58 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.84 -34.55 67.87 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.853 0.359 . . . . 0.0 110.224 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 16.9 mm -71.13 -31.91 46.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.691 179.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.68 -46.01 27.39 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.056 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -57.19 -32.82 66.85 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.977 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.429 ' CB ' ' HG ' ' A' ' 72' ' ' LEU . 75.2 m -70.58 97.09 1.27 Allowed 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.872 0.368 . . . . 0.0 110.752 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.76 38.85 1.39 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.035 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 172.6 -102.62 0.18 Allowed Glycine 0 C--N 1.334 0.431 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.558 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -84.24 130.5 34.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.81 0.338 . . . . 0.0 111.056 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.698 HD12 ' CZ ' ' B' ' 14' ' ' TYR . 0.4 OUTLIER -117.48 132.44 56.55 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.035 -179.889 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.0 mtmt -114.65 130.83 56.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.667 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 18.3 mtm -140.53 123.51 16.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.688 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.8 t -98.26 118.13 44.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.031 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 6.5 m -108.49 167.06 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.471 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -105.61 115.45 30.27 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.54 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 63.08 87.76 0.1 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.969 -0.559 . . . . 0.0 112.368 179.046 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.606 ' HB3' HG21 ' B' ' 1' ' ' THR . 4.7 t70 -168.46 44.33 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.466 179.067 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.629 ' CG ' HG23 ' B' ' 1' ' ' THR . 1.5 mm-40 -151.23 95.37 2.16 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.873 179.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.45 HD22 ' O ' ' A' ' 80' ' ' GLU . 0.5 OUTLIER -138.01 -170.87 2.88 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.856 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.198 -0.906 . . . . 0.0 111.034 179.885 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' THR . . . . . 0.629 HG23 ' CG ' ' A' ' 80' ' ' GLU . 7.8 m . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 120.587 0.232 . . . . 0.0 111.244 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 7.7 mttm -133.14 128.26 35.68 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.178 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . 0.721 HG22 ' HB3' ' A' ' 38' ' ' ASN . 43.8 t -104.16 126.97 58.77 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.818 179.732 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 1.5 m -128.94 105.65 8.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.779 0.323 . . . . 0.0 110.805 179.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 68.1 mt -100.17 152.13 20.62 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.745 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 25.6 t -127.24 101.52 7.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 120.861 0.363 . . . . 0.0 111.153 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.432 ' HB2' ' CE1' ' B' ' 14' ' ' TYR . 0.9 OUTLIER -90.37 121.84 32.71 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.736 179.693 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.09 164.82 12.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.927 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 8.2 ptt180 -57.09 -46.53 82.49 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.883 -179.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -122.22 49.81 1.54 Allowed 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 120.853 0.359 . . . . 0.0 111.18 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -133.57 32.44 3.6 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.224 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 64.35 167.14 0.16 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.941 0.401 . . . . 0.0 111.217 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -92.93 -179.03 5.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.976 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . 0.698 ' CZ ' HD12 ' A' ' 72' ' ' LEU . 15.0 m-85 -66.8 -38.84 87.28 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.207 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.42 49.22 61.36 Favored Glycine 0 C--N 1.337 0.63 0 C-N-CA 121.131 -0.556 . . . . 0.0 112.429 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.63 ' CD2' ' HB2' ' A' ' 33' ' ' ALA . 0.6 OUTLIER -106.75 142.1 36.93 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.919 0.39 . . . . 0.0 111.535 -179.226 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.494 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -103.94 122.12 44.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.974 179.02 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.428 HD11 HG22 ' A' ' 24' ' ' VAL . 2.5 mp -124.71 153.42 42.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.081 0.467 . . . . 0.0 111.914 -179.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.825 ' HB3' ' CZ ' ' A' ' 23' ' ' PHE . . . -143.1 -177.18 5.23 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.821 179.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.616 ' HB3' HD12 ' A' ' 58' ' ' LEU . 53.5 p -132.05 149.96 52.28 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.954 0.407 . . . . 0.0 112.03 -179.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' HIS . . . . . 0.443 ' HD2' ' CE1' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -123.29 -179.34 4.27 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.447 179.57 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.741 HG23 HD11 ' A' ' 18' ' ' LEU . 40.5 mm -129.5 138.03 55.33 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-O 120.775 0.321 . . . . 0.0 111.173 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.587 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 6.3 p90 -146.79 178.81 8.03 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.039 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 19.6 t -108.0 110.96 33.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.038 179.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.517 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 10.2 tptm -56.08 -45.47 79.34 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.048 179.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -176.46 170.97 2.44 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.099 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 2.1 mt -117.97 131.99 69.09 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.169 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 60.1 m -78.82 150.3 32.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.149 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -74.74 152.11 39.1 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.975 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 57.7 33.15 22.88 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.097 -179.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 1.7 m -110.77 171.84 7.22 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.961 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.443 HD22 ' O ' ' A' ' 6' ' ' VAL . 18.5 mt -61.4 -40.32 93.94 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.221 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.443 ' HB2' HD12 ' B' ' 39' ' ' ILE . . . -64.94 -47.57 77.2 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.057 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.92 -38.25 87.7 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.996 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 55.4 mtp85 -71.1 -41.33 70.74 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.82 -32.73 69.88 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.682 -0.235 . . . . 0.0 111.28 179.732 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.25 39.26 94.35 Favored Glycine 0 C--N 1.333 0.392 0 C-N-CA 120.911 -0.661 . . . . 0.0 113.036 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.883 ' HB2' HG13 ' A' ' 3' ' ' VAL . 19.7 m120 -111.75 -48.49 3.06 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.813 0.306 . . . . 0.0 111.024 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . 0.47 ' CG1' HG11 ' A' ' 3' ' ' VAL . 24.0 mt -74.84 144.85 11.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.367 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -132.46 146.49 51.97 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.804 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -61.53 117.21 5.43 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.609 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.83 -13.84 49.67 Favored Glycine 0 CA--C 1.523 0.588 0 C-N-CA 120.849 -0.691 . . . . 0.0 113.014 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -56.01 135.36 52.6 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.958 0.379 . . . . 0.0 111.042 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.1 t -98.91 100.43 10.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.605 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 21.8 t -68.23 120.48 15.72 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.202 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.433 HD22 ' HA ' ' B' ' 46' ' ' LEU . 0.2 OUTLIER -85.77 -47.72 9.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.884 179.788 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -137.65 150.46 47.4 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.408 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 19.4 mt -126.71 120.87 57.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.381 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 58.55 31.55 21.16 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.17 -179.595 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.32 35.02 27.66 Favored Glycine 0 C--N 1.336 0.544 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.92 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.18 133.72 19.79 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.809 0.305 . . . . 0.0 110.839 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.683 HG12 ' H ' ' B' ' 54' ' ' GLU . 20.7 t -68.77 144.22 14.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.636 179.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.441 ' HB ' HG13 ' B' ' 22' ' ' ILE . 0.2 OUTLIER -121.75 21.58 10.72 Favored 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -179.658 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . 0.683 ' H ' HG12 ' B' ' 52' ' ' VAL . 7.7 tm-20 -88.25 151.81 22.39 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 120.744 0.307 . . . . 0.0 110.21 179.096 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 3.0 p30 58.96 8.32 0.96 Allowed 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.549 -0.751 . . . . 0.0 112.676 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' MET . . . . . 0.435 ' HE3' ' HA ' ' B' ' 53' ' ' THR . 1.9 ttm -97.94 160.62 14.19 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.728 0.299 . . . . 0.0 110.738 179.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 18.4 m -67.46 145.68 54.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.624 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.521 HD22 ' HB2' ' A' ' 55' ' ' ASN . 27.2 tp -55.27 -32.57 62.48 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.592 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.71 -37.91 89.2 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.735 179.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.63 -44.75 85.79 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-O 120.769 0.319 . . . . 0.0 110.638 179.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.61 -38.14 74.43 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.644 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.05 -36.61 82.42 Favored 'General case' 0 N--CA 1.462 0.125 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.488 179.154 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.93 -44.1 94.54 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.0 -37.65 69.43 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.397 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . 0.561 HG23 HD11 ' B' ' 72' ' ' LEU . 24.8 mt -77.13 -30.24 17.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.768 179.134 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -75.24 -44.67 44.84 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.768 0.318 . . . . 0.0 110.799 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -58.54 -30.59 67.22 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.153 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 3.5 m -53.46 113.83 1.3 Allowed 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.275 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? -96.9 34.08 1.78 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.772 179.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 148.0 -89.88 0.15 Allowed Glycine 0 C--N 1.336 0.537 0 C-N-CA 121.106 -0.568 . . . . 0.0 112.389 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 pttp -75.88 138.53 41.13 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.02 0.438 . . . . 0.0 111.39 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.757 HD12 ' CZ ' ' A' ' 14' ' ' TYR . 0.6 OUTLIER -125.04 146.67 49.33 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.798 179.682 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.7 131.68 51.32 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.107 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 13.1 mtp -140.49 122.88 15.98 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.767 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 21.8 t -98.46 119.67 46.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.097 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 13.2 m -110.6 174.47 1.95 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.255 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.28 125.3 40.64 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -103.3 49.67 0.82 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.165 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 1.6 t70 62.05 88.08 0.09 Allowed 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.258 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.75 154.66 17.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.331 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -99.53 44.64 1.01 Allowed 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.781 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.128 -0.939 . . . . 0.0 111.229 179.839 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 17.3 p . . . . . 0 N--CA 1.493 1.701 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.467 ' HG3' HG13 ' B' ' 75' ' ' VAL . 0.5 OUTLIER -126.58 133.61 51.03 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.573 0.225 . . . . 0.0 110.919 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.693 HG22 ' HB3' ' B' ' 38' ' ' ASN . 28.1 t -103.43 125.76 57.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.792 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 m -127.65 106.0 8.85 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.75 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.688 HD11 HD11 ' B' ' 39' ' ' ILE . 51.9 mt -104.16 159.87 15.33 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.876 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.457 HG13 ' HG2' ' B' ' 71' ' ' LYS . 12.9 t -136.49 106.49 5.28 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.006 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.774 ' HA ' HD11 ' B' ' 32' ' ' LEU . 4.9 ptpt -83.95 22.99 1.07 Allowed 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.417 ' H ' HG12 ' A' ' 6' ' ' VAL . 0.2 OUTLIER -116.42 -33.93 4.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.305 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.4 -67.41 0.4 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.146 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -98.15 148.8 23.19 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.25 179.477 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -72.59 71.44 0.97 Allowed 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 120.933 0.397 . . . . 0.0 110.897 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -160.8 164.76 31.21 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.016 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -104.07 177.8 4.74 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.565 179.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.722 ' CD2' HD12 ' B' ' 72' ' ' LEU . 15.8 m-85 -66.62 -46.55 75.47 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.205 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.52 52.35 48.54 Favored Glycine 0 C--N 1.337 0.587 0 C-N-CA 121.139 -0.553 . . . . 0.0 112.803 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.635 HD23 ' HB3' ' A' ' 14' ' ' TYR . 2.3 pp -121.17 124.6 45.11 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.935 0.397 . . . . 0.0 110.959 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.422 ' HB3' ' HB3' ' B' ' 25' ' ' LYS . 10.1 mtt180 -73.6 118.63 16.78 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.665 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.714 HD11 HG23 ' B' ' 22' ' ' ILE . 0.2 OUTLIER -107.19 129.1 54.9 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.24 -179.903 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.607 ' HB3' ' CZ ' ' B' ' 23' ' ' PHE . . . -132.49 -179.72 5.62 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.827 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 62.5 p -135.81 155.89 49.64 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.177 0.513 . . . . 0.0 111.77 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.402 ' HD2' ' CE1' ' B' ' 23' ' ' PHE . 0.1 OUTLIER -125.19 175.09 7.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.481 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.911 HG13 HG22 ' A' ' 53' ' ' THR . 30.7 mm -134.63 132.36 54.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.151 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.609 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 8.0 p90 -140.73 177.13 8.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.005 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.7 t -102.13 114.01 40.28 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-O 120.965 0.412 . . . . 0.0 111.322 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.479 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 36.4 tptt -59.83 -44.6 93.96 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.527 179.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.411 ' HA ' ' HB3' ' A' ' 41' ' ' GLU . 0.7 OUTLIER 179.6 -179.63 0.44 Allowed 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.867 0.365 . . . . 0.0 110.967 -179.566 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.522 HG23 ' HB3' ' A' ' 33' ' ' ALA . 3.4 mp -120.1 133.25 67.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.589 179.31 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.512 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 38.3 m -75.03 156.61 36.0 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.285 -179.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -82.76 144.75 29.96 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.117 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 56.53 35.86 26.67 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.11 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.7 m -115.33 171.16 7.87 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.592 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.577 HD12 ' HA ' ' B' ' 14' ' ' TYR . 27.9 mt -57.84 -43.69 85.99 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.09 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.522 ' HB3' HG23 ' A' ' 27' ' ' ILE . . . -64.88 -45.16 87.16 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.477 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 28' ' ' SER . . . -66.57 -36.44 82.66 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.077 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -75.71 -46.81 29.05 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.808 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.435 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 1.3 t0 -60.34 -37.63 81.27 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.706 0.288 . . . . 0.0 111.044 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.66 33.95 87.56 Favored Glycine 0 C--N 1.335 0.511 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.384 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.739 ' HB3' HG13 ' B' ' 3' ' ' VAL . 1.5 m-80 -106.01 -31.65 8.65 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.526 0.203 . . . . 0.0 111.525 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.855 ' CG1' HG11 ' B' ' 3' ' ' VAL . 21.7 mt -96.57 146.07 7.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.013 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -129.83 155.07 46.58 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.055 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.411 ' HB3' ' HA ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -78.73 129.72 34.99 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.722 0.296 . . . . 0.0 110.938 179.563 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.64 -14.68 53.5 Favored Glycine 0 CA--C 1.522 0.506 0 C-N-CA 120.814 -0.708 . . . . 0.0 113.747 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 51.8 p-10 -74.85 157.64 34.76 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 117.646 0.723 . . . . 0.0 110.975 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 25.7 t -111.37 117.12 54.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.344 -178.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.4 t -82.76 135.59 24.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.353 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.4 tt -102.99 -38.38 7.37 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.37 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.9 mttm -135.79 151.94 50.59 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -179.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 52.4 mt -139.13 126.83 26.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.639 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 20.1 p30 45.69 33.35 1.44 Allowed 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.215 0.606 . . . . 0.0 111.783 -179.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 83.24 38.67 10.75 Favored Glycine 0 C--N 1.337 0.615 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.829 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.32 137.88 20.96 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.688 0.244 . . . . 0.0 110.521 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 38.5 t -64.37 149.09 11.32 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.769 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.911 HG22 HG13 ' A' ' 22' ' ' ILE . 0.6 OUTLIER -132.47 56.52 1.83 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.355 0.597 . . . . 0.0 111.0 179.861 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -135.47 140.32 44.75 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.432 -0.803 . . . . 0.0 109.67 178.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.656 ' O ' HD22 ' B' ' 58' ' ' LEU . 1.6 m-20 67.72 8.01 6.09 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.921 -179.307 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -93.8 169.43 10.31 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.736 0.303 . . . . 0.0 110.791 179.272 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.9 t -84.15 148.08 26.97 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.668 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.636 HD22 ' O ' ' B' ' 55' ' ' ASN . 19.4 tp -56.69 -30.78 63.8 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.653 179.49 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.2 -37.96 81.45 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.414 179.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -59.92 -39.32 85.05 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.629 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.664 ' HA ' HD12 ' A' ' 64' ' ' LEU . . . -58.1 -39.29 78.24 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.794 179.411 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.7 mmmt -62.22 -36.68 82.68 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.381 179.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.98 -39.02 92.85 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.973 179.551 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.664 HD12 ' HA ' ' A' ' 61' ' ' ALA . 28.7 mt -55.7 -34.34 65.0 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.718 179.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 16.2 mt -76.14 -30.94 20.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.923 179.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -74.25 -54.92 6.7 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.948 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.78 -26.2 65.52 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.511 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 m -56.86 115.55 2.65 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.842 0.353 . . . . 0.0 111.141 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.16 105.74 17.73 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.271 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 81.14 -113.34 3.62 Favored Glycine 0 C--N 1.336 0.536 0 C-N-CA 121.218 -0.515 . . . . 0.0 113.204 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.495 ' HE3' HG13 ' B' ' 6' ' ' VAL . 0.0 OUTLIER -69.6 153.35 43.57 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.745 0.307 . . . . 0.0 111.216 -179.601 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.729 HD12 ' CE2' ' B' ' 14' ' ' TYR . 0.4 OUTLIER -130.17 131.05 45.46 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.152 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.85 135.89 48.49 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.946 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 2.0 mtm -136.37 121.36 18.83 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.525 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.6 t -99.04 131.69 45.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.056 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.6 t -103.28 156.75 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.837 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -93.39 145.09 24.73 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 120.886 0.374 . . . . 0.0 111.499 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -141.82 31.83 1.62 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.95 179.184 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -90.55 -175.41 4.43 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.928 179.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 60.76 34.51 19.84 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.868 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.74 131.29 53.72 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.43 -179.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 . . . . . 0 C--O 1.251 1.181 0 O-C-N 123.563 0.54 . . . . 0.0 111.563 -179.562 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 120.716 0.293 . . . . 0.0 111.198 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -124.11 142.79 50.91 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.037 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . 0.855 HG11 ' CG1' ' A' ' 39' ' ' ILE . 24.1 t -127.68 128.57 69.64 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.964 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 6.6 m -129.0 107.36 9.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.151 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.638 ' CD2' HG12 ' B' ' 3' ' ' VAL . 3.8 mm? -100.45 160.17 14.55 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.793 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . 0.495 HG13 ' HE3' ' A' ' 71' ' ' LYS . 21.9 t -124.94 100.14 6.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.938 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.535 ' HB2' ' CZ ' ' B' ' 14' ' ' TYR . 0.0 OUTLIER -77.36 117.8 19.2 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.324 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 4.0 p -175.64 167.58 3.19 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.694 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.97 97.48 1.15 Allowed 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.921 0.391 . . . . 0.0 110.723 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.52 -50.18 0.21 Allowed 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.184 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -140.33 -52.66 0.5 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.605 0.241 . . . . 0.0 111.163 179.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -176.04 -175.82 0.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.696 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -68.87 -173.58 0.49 Allowed 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.571 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . 0.88 ' HB3' HD23 ' B' ' 16' ' ' LEU . 48.9 m-85 -54.94 -47.85 73.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.087 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.38 45.68 95.43 Favored Glycine 0 C--N 1.336 0.54 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.422 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.88 HD23 ' HB3' ' B' ' 14' ' ' TYR . 2.4 pp -115.21 111.66 21.3 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.988 0.423 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.479 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -74.59 114.56 13.15 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.049 179.666 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.564 HD21 ' CG2' ' A' ' 22' ' ' ILE . 0.1 OUTLIER -109.42 164.74 12.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.917 0.389 . . . . 0.0 111.321 -179.636 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.609 ' HB3' ' CZ ' ' A' ' 23' ' ' PHE . . . -157.3 177.75 11.1 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.214 -179.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 93.3 p -133.09 152.42 51.95 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.96 0.409 . . . . 0.0 111.162 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' HIS . . . . . 0.58 ' C ' HD12 ' B' ' 22' ' ' ILE . 0.1 OUTLIER -123.72 163.64 20.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.1 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.746 HD13 ' O ' ' B' ' 53' ' ' THR . 1.7 mp -122.75 134.29 66.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.407 179.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.607 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 7.6 p90 -143.48 178.03 8.05 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.358 -179.482 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 23.1 t -107.66 110.39 31.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.91 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.422 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 1.3 tttp -59.97 -41.36 91.81 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.296 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -172.66 175.22 3.5 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.952 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . 0.421 HD11 ' C ' ' B' ' 40' ' ' GLN . 3.3 mp -130.31 144.82 36.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 69.2 m -85.82 139.89 30.9 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 5.5 pm0 -74.13 158.23 34.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.527 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 56.68 34.98 25.46 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.248 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 1.6 m -120.61 178.33 4.72 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.728 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.774 HD11 ' HA ' ' A' ' 7' ' ' LYS . 42.9 mt -59.79 -39.65 85.64 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.299 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.06 -45.81 91.91 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.152 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.12 -37.71 83.76 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.059 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -74.07 -43.78 56.49 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.691 179.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -64.65 -37.04 86.2 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.101 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.6 37.63 93.81 Favored Glycine 0 C--N 1.336 0.569 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.573 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.693 ' HB3' HG22 ' A' ' 3' ' ' VAL . 2.5 m-80 -114.35 -40.5 3.63 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 -179.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . 0.688 HD11 HD11 ' A' ' 5' ' ' LEU . 8.1 mt -86.53 132.92 31.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-O 120.754 0.312 . . . . 0.0 111.245 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.421 ' C ' HD11 ' B' ' 27' ' ' ILE . 4.6 tp60 -129.7 149.21 51.55 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.68 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 53.6 tt0 -55.81 116.23 2.83 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.636 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.56 -2.35 46.0 Favored Glycine 0 CA--C 1.525 0.664 0 C-N-CA 120.863 -0.684 . . . . 0.0 113.171 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -58.36 142.55 47.91 Favored 'General case' 0 C--N 1.341 0.22 0 CA-C-N 117.034 0.417 . . . . 0.0 110.947 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 22.6 t -106.42 98.46 6.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.81 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 23.7 t -80.29 101.4 5.33 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.148 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.436 HD21 HG12 ' B' ' 75' ' ' VAL . 0.6 OUTLIER -78.74 -31.07 46.12 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.642 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . 0.434 ' HD2' HD12 ' B' ' 46' ' ' LEU . 7.6 mttt -139.39 156.44 46.99 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 120.812 0.339 . . . . 0.0 111.232 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.462 ' HB ' HD22 ' B' ' 64' ' ' LEU . 34.8 mt -142.14 121.73 10.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.593 179.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 60.35 34.01 20.75 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.33 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.33 25.15 64.16 Favored Glycine 0 C--N 1.335 0.519 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.673 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 4.8 m -131.8 139.4 48.88 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.657 0.265 . . . . 0.0 110.42 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 34.5 t -69.35 134.83 29.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.852 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.746 ' O ' HD13 ' B' ' 22' ' ' ILE . 1.0 OUTLIER -121.07 46.39 2.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.618 179.566 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -118.54 143.14 46.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.016 179.117 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . 0.636 ' O ' HD22 ' A' ' 58' ' ' LEU . 3.7 m-20 69.42 6.28 5.61 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.58 -179.385 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -94.61 159.32 15.13 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.75 0.31 . . . . 0.0 110.893 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 2.8 m -65.67 151.49 46.42 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.814 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.656 HD22 ' O ' ' A' ' 55' ' ' ASN . 47.9 tp -55.6 -31.15 62.0 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.405 179.254 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.28 -38.5 71.84 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.797 179.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.58 -41.64 70.12 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-O 120.753 0.311 . . . . 0.0 110.245 179.323 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.83 -37.64 87.6 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.259 178.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' B' ' 63' ' ' THR . 0.0 OUTLIER -65.33 -31.98 73.39 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.742 179.258 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' THR . . . . . 0.45 ' N ' ' HG3' ' B' ' 62' ' ' LYS . 0.9 OUTLIER -66.58 -44.06 83.22 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.035 179.882 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.462 HD22 ' HB ' ' B' ' 48' ' ' ILE . 0.8 OUTLIER -55.35 -37.47 67.53 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.8 0.333 . . . . 0.0 110.288 179.59 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . 0.5 HG23 HD11 ' B' ' 72' ' ' LEU . 40.3 mt -70.67 -31.38 45.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.608 178.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -76.56 -41.65 45.71 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.751 179.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 -59.34 -27.2 65.7 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.477 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 16.8 t -52.95 114.7 1.52 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 120.732 0.301 . . . . 0.0 111.229 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -94.87 34.97 1.29 Allowed 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.356 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . 0.513 ' HA2' ' CG ' ' A' ' 7' ' ' LYS . . . 132.83 -65.51 0.59 Allowed Glycine 0 C--N 1.336 0.535 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.528 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . 0.457 ' HG2' HG13 ' A' ' 6' ' ' VAL . 6.3 mttt -91.88 114.15 26.62 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.685 0.279 . . . . 0.0 110.897 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.722 HD12 ' CD2' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -97.79 137.68 36.3 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.044 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -124.14 122.15 37.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.695 179.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 14.6 mtp -133.65 118.16 17.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.637 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.467 HG13 ' HG3' ' A' ' 2' ' ' LYS . 36.8 t -98.01 127.99 49.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.753 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 33.5 m -115.13 173.59 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.519 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -111.74 106.96 15.89 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.015 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -120.63 -66.18 1.08 Allowed 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.658 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -89.69 122.02 32.41 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.518 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -60.82 -67.27 0.42 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.327 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 6.9 tt -165.11 -52.68 0.03 OUTLIER 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.93 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.19 -0.91 . . . . 0.0 111.109 179.712 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.484 ' HB ' HG23 ' B' ' 76' ' ' VAL . 7.4 m . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 120.639 0.257 . . . . 0.0 111.203 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -96.49 141.38 29.85 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.858 0.361 . . . . 0.0 111.112 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.693 HG13 ' CB ' ' B' ' 38' ' ' ASN . 20.2 t -119.76 133.45 66.51 Favored 'Isoleucine or valine' 0 C--O 1.231 0.13 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.006 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.87 114.43 16.5 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.929 179.721 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.703 HD21 HD11 ' B' ' 39' ' ' ILE . 26.0 mt -111.99 159.08 18.77 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.099 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 20.9 t -134.22 104.78 6.08 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.959 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.501 ' HA ' HD11 ' B' ' 32' ' ' LEU . 23.9 ttmt -71.49 143.17 50.09 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.142 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.7 m -87.46 163.05 16.93 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.154 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -68.51 95.52 0.63 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.7 pttp 44.12 34.66 1.02 Allowed 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.721 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -108.68 -37.48 5.89 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.411 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -162.08 161.72 28.4 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.804 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -117.57 -179.88 3.86 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.728 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.782 ' HB3' HD23 ' A' ' 16' ' ' LEU . 19.7 m-85 -74.34 -33.8 63.24 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.375 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.01 28.24 63.43 Favored Glycine 0 C--N 1.336 0.544 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.628 -179.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.782 HD23 ' HB3' ' A' ' 14' ' ' TYR . 3.2 pp -95.22 138.82 32.41 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.852 0.358 . . . . 0.0 111.112 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.695 ' C ' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -114.04 135.97 53.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.657 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.695 HD23 ' C ' ' A' ' 17' ' ' ARG . 1.4 mt -120.45 169.05 10.69 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-O 121.532 0.682 . . . . 0.0 111.415 179.107 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.766 ' HB3' ' CZ ' ' B' ' 23' ' ' PHE . . . -156.31 171.64 19.87 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.418 -1.264 . . . . 0.0 110.013 178.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 64.3 p -128.66 146.53 50.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.16 0.505 . . . . 0.0 112.165 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.493 ' HD2' ' CE1' ' B' ' 23' ' ' PHE . 0.2 OUTLIER -115.03 178.43 4.28 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.162 179.299 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.772 HG23 HD11 ' B' ' 18' ' ' LEU . 33.6 mm -130.04 131.68 65.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.7 0.286 . . . . 0.0 111.22 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.625 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 15.4 p90 -142.08 177.02 8.51 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.412 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.2 t -106.11 112.61 40.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.959 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.458 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 9.1 tttp -64.49 -38.13 89.93 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.41 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -177.35 174.76 1.56 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.75 0.309 . . . . 0.0 110.928 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.1 mp -131.09 139.44 51.02 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.201 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.8 t -83.85 154.06 23.68 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.305 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -84.9 156.11 21.39 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.079 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 57.79 31.76 20.93 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.284 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.4 m -119.04 173.94 6.6 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.787 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.495 HD11 ' HA ' ' B' ' 7' ' ' LYS . 34.4 mt -57.78 -44.49 86.28 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.06 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.527 ' CB ' HD12 ' A' ' 39' ' ' ILE . . . -60.25 -45.91 91.61 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.08 179.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.06 -37.15 83.54 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.268 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.62 -49.04 43.86 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.214 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.5 -32.47 74.12 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.572 0.225 . . . . 0.0 111.224 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.67 35.91 92.65 Favored Glycine 0 C--N 1.336 0.538 0 C-N-CA 121.013 -0.613 . . . . 0.0 113.111 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.791 ' HB2' HG13 ' B' ' 3' ' ' VAL . 89.6 m-20 -107.86 -33.35 7.26 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.783 0.291 . . . . 0.0 111.511 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.875 HD11 HD11 ' B' ' 5' ' ' LEU . 18.6 mt -90.82 140.42 16.0 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 CA-C-O 120.71 0.291 . . . . 0.0 111.346 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -135.38 150.03 49.82 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.978 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -62.84 127.59 31.98 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.796 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 98.94 -17.63 57.94 Favored Glycine 0 CA--C 1.522 0.518 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.711 -179.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -55.9 139.43 46.04 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.769 0.319 . . . . 0.0 110.923 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 20.8 t -100.94 98.56 7.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.997 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.541 ' HA ' HG12 ' A' ' 76' ' ' VAL . 29.0 t -75.89 89.26 0.78 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.049 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.3 tt -68.51 -44.16 75.25 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.315 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.58 154.28 38.15 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 120.802 0.334 . . . . 0.0 111.235 -179.485 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.547 ' HB ' HD13 ' A' ' 64' ' ' LEU . 34.8 mt -141.0 114.21 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.596 179.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 58.97 35.58 24.15 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.384 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.7 32.49 45.77 Favored Glycine 0 C--N 1.335 0.495 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.638 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.38 120.06 9.2 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.604 0.24 . . . . 0.0 110.638 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.528 HG12 ' H ' ' A' ' 54' ' ' GLU . 31.6 t -66.79 133.97 30.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.724 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.409 ' HB ' HG13 ' A' ' 22' ' ' ILE . 0.6 OUTLIER -115.83 37.1 3.74 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.478 -179.793 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.528 ' H ' HG12 ' A' ' 52' ' ' VAL . 10.0 tt0 -93.93 142.85 26.91 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 179.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.553 ' OD1' ' HB1' ' A' ' 19' ' ' ALA . 5.9 m-20 69.57 6.53 5.75 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.205 -179.543 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.0 ttm -93.01 178.04 5.88 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.748 0.308 . . . . 0.0 110.59 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.2 p -87.88 149.87 23.85 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.506 179.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.553 HD22 ' O ' ' B' ' 55' ' ' ASN . 16.4 tp -57.18 -29.35 63.59 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.554 -0.293 . . . . 0.0 110.772 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.97 -39.31 93.29 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.839 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.17 -42.24 76.75 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.766 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.17 -44.15 87.8 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.76 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.1 mttp -60.8 -35.51 76.68 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.634 179.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.7 m -63.61 -46.35 86.13 Favored 'General case' 0 N--CA 1.462 0.125 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.225 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.547 HD13 ' HB ' ' A' ' 48' ' ' ILE . 6.2 mt -56.04 -37.67 69.54 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.866 0.365 . . . . 0.0 110.162 179.591 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.452 ' HA ' HD11 ' A' ' 72' ' ' LEU . 39.8 mt -75.22 -29.52 21.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.736 178.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.74 -50.27 15.77 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.74 0.305 . . . . 0.0 110.974 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 19.3 ttt-85 -60.71 -28.75 68.88 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.239 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.452 ' CB ' ' HG ' ' A' ' 72' ' ' LEU . 9.4 m -65.58 89.63 0.1 Allowed 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.009 0.433 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.1 mttm -91.29 54.76 2.64 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.232 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 158.14 -117.86 0.8 Allowed Glycine 0 C--N 1.334 0.44 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.295 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.43 140.72 43.09 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.843 0.354 . . . . 0.0 111.333 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.784 HD12 ' CZ ' ' B' ' 14' ' ' TYR . 0.5 OUTLIER -124.9 144.74 50.17 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.672 179.905 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.39 136.16 53.15 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.779 179.734 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.505 ' HG3' HG23 ' A' ' 48' ' ' ILE . 0.8 OUTLIER -141.54 126.17 17.9 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.013 -179.905 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.2 t -100.63 117.16 45.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.541 HG12 ' HA ' ' A' ' 45' ' ' VAL . 28.0 m -119.33 162.7 17.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.588 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.01 129.34 53.35 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.213 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -159.1 158.86 33.76 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.77 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -59.36 141.21 55.08 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.396 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -81.31 149.6 28.87 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.293 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.431 HD23 ' O ' ' A' ' 82' ' ' GLU . 0.3 OUTLIER -96.76 130.91 43.93 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.126 179.908 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.431 ' O ' HD23 ' A' ' 81' ' ' LEU . 2.5 tp10 . . . . . 0 C--O 1.251 1.142 0 CA-C-O 118.67 -0.681 . . . . 0.0 111.627 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' THR . . . . . 0.52 ' HB ' HG23 ' A' ' 76' ' ' VAL . 1.3 m . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 120.598 0.237 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.92 132.12 52.18 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.8 0.334 . . . . 0.0 111.336 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . 0.791 HG13 ' HB2' ' A' ' 38' ' ' ASN . 38.3 t -112.02 123.56 67.9 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.138 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 4.9 m -127.02 112.16 14.9 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.819 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.875 HD11 HD11 ' A' ' 39' ' ' ILE . 41.1 mt -110.8 157.69 19.52 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.051 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 33.2 t -123.41 103.32 12.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.099 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.515 ' HB2' ' CZ ' ' B' ' 14' ' ' TYR . 2.0 ttmt -80.75 147.1 30.69 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.301 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.462 ' HB2' ' HB2' ' B' ' 12' ' ' GLU . 49.2 m -92.95 -23.67 18.65 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.558 179.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 39.2 ttt180 77.2 -56.82 0.53 Allowed 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 122.565 0.346 . . . . 0.0 111.252 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -47.3 -55.87 7.9 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.569 0.223 . . . . 0.0 111.143 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -170.03 79.23 0.1 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.911 0.386 . . . . 0.0 111.148 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . 0.462 ' HB2' ' HB2' ' B' ' 8' ' ' SER . 2.5 mt-10 -173.59 81.89 0.04 OUTLIER 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.959 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -73.46 162.32 29.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.94 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . 0.784 ' CZ ' HD12 ' A' ' 72' ' ' LEU . 61.8 m-85 -68.74 -29.46 67.86 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.391 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.15 46.99 92.94 Favored Glycine 0 C--N 1.335 0.515 0 C-N-CA 121.284 -0.484 . . . . 0.0 113.018 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.753 HD23 ' HB3' ' B' ' 14' ' ' TYR . 2.4 pp -124.77 129.27 50.14 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.777 0.323 . . . . 0.0 110.973 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.458 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 1.3 mmt85 -82.68 117.66 22.78 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.705 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.772 HD11 HG23 ' A' ' 22' ' ' ILE . 0.6 OUTLIER -106.4 132.0 52.95 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.992 -179.765 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.625 ' HB3' ' CZ ' ' A' ' 23' ' ' PHE . . . -136.15 175.45 9.59 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.211 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.453 ' OG ' HD13 ' A' ' 58' ' ' LEU . 58.3 p -141.01 150.16 42.68 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.923 0.392 . . . . 0.0 111.703 -179.737 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' HIS . . . . . 0.464 ' HD2' ' CE1' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -114.75 177.16 4.75 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.109 179.718 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.405 HG13 ' HB ' ' B' ' 53' ' ' THR . 26.8 mm -132.54 120.82 43.66 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.365 179.273 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.766 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 20.9 p90 -125.51 -175.93 3.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.372 -179.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t -96.57 113.68 31.54 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-O 120.861 0.362 . . . . 0.0 111.54 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.562 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 21.7 tptp -66.47 -40.71 89.49 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.786 179.136 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.446 ' HG3' ' HB2' ' A' ' 17' ' ' ARG . 2.1 pt-20 179.92 172.83 0.99 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.961 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . 0.446 ' CG2' ' HB3' ' B' ' 33' ' ' ALA . 2.7 mt -133.75 137.47 52.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.184 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.977 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.59 149.88 34.76 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.157 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -75.51 150.0 38.27 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.824 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 57.36 37.4 27.99 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.026 -179.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.95 174.31 5.96 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.825 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.501 HD11 ' HA ' ' A' ' 7' ' ' LYS . 42.5 mt -58.62 -41.91 86.99 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.176 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.52 ' HB1' ' HB ' ' B' ' 39' ' ' ILE . . . -61.14 -46.71 89.45 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.218 179.673 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.13 -38.68 83.82 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.076 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.87 -39.32 51.51 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.895 179.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -63.09 -35.9 81.81 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.386 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.75 35.18 84.94 Favored Glycine 0 C--N 1.334 0.456 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.419 -179.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.693 ' CB ' HG13 ' A' ' 3' ' ' VAL . 3.0 m-80 -121.65 -53.5 1.98 Allowed 'General case' 0 C--N 1.334 -0.082 0 CA-C-O 120.606 0.241 . . . . 0.0 110.911 -179.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . 0.703 HD11 HD21 ' A' ' 5' ' ' LEU . 3.3 mp -72.41 123.22 26.56 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.817 179.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -128.17 142.9 51.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.823 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.18 119.45 6.88 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.66 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.81 4.37 51.77 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 120.95 -0.643 . . . . 0.0 113.178 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.04 130.19 39.34 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 117.138 0.469 . . . . 0.0 110.628 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 22.1 t -84.66 104.22 12.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.794 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . 0.594 HG22 ' CG1' ' B' ' 76' ' ' VAL . 21.6 t -81.84 137.76 20.66 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.272 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.67 -39.33 4.34 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.163 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 6.2 mtpp -137.71 157.61 46.1 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.881 0.372 . . . . 0.0 111.543 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 20.6 mt -143.31 123.04 8.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.501 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 52.95 36.54 22.15 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.457 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.77 35.89 44.22 Favored Glycine 0 C--N 1.335 0.5 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.731 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.7 132.4 17.89 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.517 0.199 . . . . 0.0 110.599 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.565 HG12 ' H ' ' B' ' 54' ' ' GLU . 24.0 t -76.33 136.28 25.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.808 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.405 ' HB ' HG13 ' B' ' 22' ' ' ILE . 0.1 OUTLIER -118.27 34.64 5.09 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.187 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . 0.565 ' H ' HG12 ' B' ' 52' ' ' VAL . 0.1 OUTLIER -95.55 142.74 27.52 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.188 179.201 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . 0.614 ' OD1' ' HB1' ' B' ' 19' ' ' ALA . 3.9 m-20 65.68 12.74 8.5 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.856 -179.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -101.52 175.13 5.67 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.731 0.3 . . . . 0.0 110.866 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 3.8 m -81.91 147.53 29.23 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.715 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.448 HD22 ' O ' ' A' ' 55' ' ' ASN . 14.5 tp -56.04 -29.77 60.94 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.837 179.632 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.66 -40.02 95.8 Favored 'General case' 0 CA--C 1.527 0.092 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.867 179.48 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -55.33 -47.2 76.02 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.454 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.54 -37.65 76.12 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.418 179.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' B' ' 63' ' ' THR . 0.0 OUTLIER -64.99 -36.99 86.19 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.424 179.201 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' THR . . . . . 0.406 ' N ' ' HG3' ' B' ' 62' ' ' LYS . 0.2 OUTLIER -63.96 -41.7 97.5 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 179.656 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.33 -34.06 66.2 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.73 0.3 . . . . 0.0 110.852 179.477 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . 0.54 ' HA ' HD11 ' B' ' 72' ' ' LEU . 17.1 mt -78.63 -29.02 14.49 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.727 179.14 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -77.99 -45.04 24.91 Favored 'General case' 0 CA--C 1.53 0.173 0 CA-C-O 120.77 0.319 . . . . 0.0 110.93 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.75 -17.4 64.59 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.053 -0.521 . . . . 0.0 112.303 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . 0.401 ' CB ' ' HG ' ' B' ' 72' ' ' LEU . 58.2 p -56.7 104.32 0.15 Allowed 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 121.007 0.432 . . . . 0.0 111.024 -179.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -65.83 -44.59 85.1 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.85 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -146.94 -64.59 0.01 OUTLIER Glycine 0 C--N 1.335 0.504 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.713 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -95.6 136.74 35.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.841 0.353 . . . . 0.0 110.995 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.714 HD12 ' CE2' ' A' ' 14' ' ' TYR . 0.4 OUTLIER -118.08 138.76 52.02 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.268 -179.729 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 6.0 mtpt -121.03 135.81 55.12 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.078 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 12.8 mtp -137.67 124.99 21.81 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 21.9 t -100.3 120.96 50.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.937 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.594 ' CG1' HG22 ' B' ' 45' ' ' VAL . 12.6 m -129.31 165.67 28.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 120.778 0.323 . . . . 0.0 111.418 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -152.94 122.84 6.93 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.103 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 19.2 ttt-85 -116.93 -50.81 2.58 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.836 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -94.84 125.76 39.71 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.856 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -136.38 -50.71 0.69 Allowed 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.078 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 2.2 mt -74.0 -67.25 0.62 Allowed 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.931 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.102 -0.951 . . . . 0.0 111.125 -179.915 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 120.581 0.229 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.2 ttmm -129.19 138.42 51.72 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.314 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.702 HG13 ' CB ' ' B' ' 38' ' ' ASN . 41.3 t -117.59 133.2 65.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.923 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.4 m -129.35 117.24 20.31 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 120.823 0.344 . . . . 0.0 111.162 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 76.4 mt -115.49 155.74 26.96 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.757 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 38.9 t -126.46 102.69 10.19 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 CA-C-O 120.739 0.304 . . . . 0.0 111.074 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.459 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 1.1 ttmm -78.69 142.72 36.9 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.178 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.6 t -97.18 -176.57 3.57 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.149 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? -59.89 -57.05 14.56 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.062 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.1 mttm -157.5 164.53 37.3 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.892 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.4 t30 60.25 35.12 20.91 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.527 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -163.1 57.53 0.19 Allowed 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.043 0.449 . . . . 0.0 110.627 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.83 165.36 25.05 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.951 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.772 ' CE2' HD12 ' B' ' 72' ' ' LEU . 69.3 m-85 -60.2 -34.05 73.08 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.361 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.86 29.37 61.72 Favored Glycine 0 C--N 1.335 0.523 0 C-N-CA 121.068 -0.587 . . . . 0.0 113.027 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.755 HD23 ' HB3' ' A' ' 14' ' ' TYR . 3.1 pp -111.48 123.96 51.3 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.859 0.361 . . . . 0.0 110.857 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.546 ' O ' HG13 ' B' ' 24' ' ' VAL . 0.2 OUTLIER -85.05 145.47 27.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.486 179.847 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.587 HD21 ' CG2' ' B' ' 22' ' ' ILE . 0.1 OUTLIER -131.72 163.58 27.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.069 0.461 . . . . 0.0 111.711 -179.897 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.616 ' HB3' ' CZ ' ' B' ' 23' ' ' PHE . . . -158.76 177.41 11.21 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.183 -179.556 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.456 ' HB3' HD13 ' B' ' 58' ' ' LEU . 80.4 p -139.46 153.74 47.61 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 120.874 0.368 . . . . 0.0 111.516 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.435 ' HD2' ' CE1' ' B' ' 23' ' ' PHE . 0.2 OUTLIER -119.53 175.14 5.99 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.468 179.632 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.717 ' CG2' HD11 ' B' ' 18' ' ' LEU . 27.8 mm -129.08 137.66 56.56 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-O 120.73 0.3 . . . . 0.0 111.397 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.445 ' CZ ' ' HB3' ' B' ' 19' ' ' ALA . 10.8 p90 -149.01 178.8 8.38 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.379 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.5 t -104.02 122.17 56.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.247 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.498 ' HB3' ' HB3' ' B' ' 17' ' ' ARG . 10.5 tptt -76.58 -35.39 58.19 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.27 179.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.446 ' O ' HD13 ' A' ' 27' ' ' ILE . 0.7 OUTLIER -172.68 175.46 3.43 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.916 0.389 . . . . 0.0 111.321 -179.775 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.58 HD11 ' C ' ' A' ' 40' ' ' GLN . 5.8 mm -123.3 131.71 72.69 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.495 179.179 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t -76.34 138.68 40.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.8 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.57 143.21 54.96 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 t0 59.19 37.67 23.8 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.6 p -110.58 177.2 4.76 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.931 0.396 . . . . 0.0 111.164 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.733 HD12 ' HA ' ' B' ' 14' ' ' TYR . 21.7 mt -63.86 -34.4 77.85 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.106 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.679 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -65.86 -34.25 77.72 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.773 -0.194 . . . . 0.0 111.198 179.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.43 -52.16 59.48 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.35 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.78 -35.18 72.45 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.097 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -61.56 -35.92 79.14 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.089 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.18 31.5 81.04 Favored Glycine 0 C--N 1.335 0.475 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.978 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.496 ' HB3' HG22 ' B' ' 3' ' ' VAL . 29.1 m-20 -123.55 -44.01 2.13 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.706 0.253 . . . . 0.0 111.299 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.94 HD11 HD21 ' B' ' 5' ' ' LEU . 2.6 mp -83.87 127.43 39.78 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.989 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.58 ' C ' HD11 ' A' ' 27' ' ' ILE . 1.7 mp0 -137.76 169.22 18.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.939 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -74.21 127.17 32.27 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.666 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.11 -20.93 39.24 Favored Glycine 0 CA--C 1.522 0.491 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.457 -179.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -54.02 138.18 37.92 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.683 0.278 . . . . 0.0 111.249 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.0 t -101.99 99.61 8.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.925 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.0 t -74.45 128.29 36.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.9 tp -103.29 -44.6 5.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.422 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.585 ' HG2' HG22 ' A' ' 52' ' ' VAL . 23.3 mttt -133.27 153.1 51.86 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.857 0.361 . . . . 0.0 111.81 -179.339 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.483 ' HB ' HD13 ' A' ' 64' ' ' LEU . 4.5 mp -139.35 123.33 19.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.409 179.134 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 57.61 30.54 18.95 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.13 -179.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 83.26 32.7 24.97 Favored Glycine 0 C--N 1.337 0.621 0 C-N-CA 120.981 -0.628 . . . . 0.0 113.217 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -148.36 129.44 14.51 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 117.084 0.442 . . . . 0.0 111.053 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.681 HG12 ' H ' ' A' ' 54' ' ' GLU . 20.8 t -74.49 138.78 20.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.694 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.453 ' HA ' ' HE3' ' A' ' 56' ' ' MET . 0.9 OUTLIER -112.33 24.3 12.7 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 179.836 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.681 ' H ' HG12 ' A' ' 52' ' ' VAL . 5.7 tt0 -82.6 144.08 30.57 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 179.043 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.7 m120 64.78 14.31 9.07 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.582 -179.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.453 ' HE3' ' HA ' ' A' ' 53' ' ' THR . 1.5 ttm -107.57 165.77 11.16 Favored 'General case' 0 CA--C 1.53 0.212 0 CA-C-O 120.796 0.331 . . . . 0.0 111.138 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 51.7 m -74.31 143.36 45.0 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.715 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.533 HD13 ' HB3' ' B' ' 20' ' ' SER . 25.2 tp -56.26 -32.65 64.71 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.029 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.07 -39.34 93.86 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.402 179.406 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -55.11 -44.59 75.12 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.006 179.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.91 -38.99 73.62 Favored 'General case' 0 CA--C 1.527 0.096 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.979 179.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.7 ' HA ' HD12 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -67.92 -35.98 79.38 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.642 179.432 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.2 m -62.67 -43.99 97.39 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.81 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.483 HD13 ' HB ' ' A' ' 48' ' ' ILE . 5.9 mt -56.39 -37.28 69.91 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.171 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.7 HD12 ' HA ' ' A' ' 62' ' ' LYS . 17.1 mt -69.84 -32.2 51.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.335 178.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -74.18 -43.38 57.49 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.731 0.301 . . . . 0.0 110.7 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -66.86 -18.66 65.49 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.919 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.454 ' OG ' ' HG ' ' A' ' 72' ' ' LEU . 63.0 m -57.92 110.7 0.97 Allowed 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.569 0.223 . . . . 0.0 110.924 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.36 -56.4 20.73 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.129 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -134.04 -79.63 0.13 Allowed Glycine 0 C--N 1.335 0.498 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.352 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.416 ' HG2' HG22 ' B' ' 6' ' ' VAL . 4.3 mtmt -79.22 145.52 33.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.739 0.304 . . . . 0.0 110.912 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.694 HD11 ' HA ' ' A' ' 65' ' ' ILE . 0.7 OUTLIER -123.27 118.53 27.78 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.885 179.872 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.451 ' HD3' HG23 ' B' ' 4' ' ' THR . 0.9 OUTLIER -94.76 135.61 36.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.492 179.775 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 11.3 mtp -140.69 123.63 16.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.838 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 26.3 t -98.06 123.7 50.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.658 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 24.1 t -120.04 152.5 22.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.888 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.27 153.98 17.76 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.675 0.274 . . . . 0.0 110.777 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -111.73 -81.65 0.59 Allowed 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.773 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -151.96 37.49 0.56 Allowed 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 120.914 0.388 . . . . 0.0 110.84 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -73.79 150.52 41.01 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.107 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.52 122.49 22.27 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.113 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 . . . . . 0 C--O 1.251 1.137 0 CA-C-O 118.457 -0.783 . . . . 0.0 110.695 179.896 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 20.7 m . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 120.671 0.272 . . . . 0.0 111.288 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -110.89 124.67 52.52 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.883 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . 0.796 HG11 HG13 ' A' ' 39' ' ' ILE . 21.7 t -111.94 131.44 63.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.934 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.451 HG23 ' HD3' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -128.95 115.13 17.36 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.774 0.321 . . . . 0.0 111.157 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.94 HD21 HD11 ' A' ' 39' ' ' ILE . 3.2 mm? -107.11 157.48 17.81 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.715 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . 0.416 HG22 ' HG2' ' A' ' 71' ' ' LYS . 12.1 t -129.92 100.1 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.137 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.982 179.597 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.533 ' HB2' ' CZ ' ' B' ' 14' ' ' TYR . 0.5 OUTLIER -75.83 127.21 32.53 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.994 179.913 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 41.8 m -106.2 140.47 39.1 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.924 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 24.8 mtt180 -85.86 57.69 4.62 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 121.049 0.452 . . . . 0.0 110.891 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 33.0 tttp -137.22 -80.8 0.37 Allowed 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.18 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -158.12 43.88 0.3 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.897 0.38 . . . . 0.0 111.093 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -137.66 102.04 4.64 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.241 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -93.67 165.95 12.46 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.714 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . 0.733 ' HA ' HD12 ' A' ' 32' ' ' LEU . 59.6 m-85 -58.67 -42.41 88.41 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.349 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.74 51.92 49.47 Favored Glycine 0 CA--C 1.522 0.485 0 C-N-CA 121.189 -0.529 . . . . 0.0 113.203 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.695 HD23 ' HB3' ' B' ' 14' ' ' TYR . 3.3 pp -125.66 124.68 41.67 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 120.774 0.321 . . . . 0.0 110.979 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.498 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -84.38 109.66 18.02 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.437 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.717 HD11 ' CG2' ' A' ' 22' ' ' ILE . 0.2 OUTLIER -97.0 142.97 28.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.751 -179.229 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.45 ' HB2' ' HB2' ' A' ' 25' ' ' LYS . . . -142.83 175.18 10.02 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.077 179.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.533 ' HB3' HD13 ' A' ' 58' ' ' LEU . 99.4 p -143.37 151.31 40.28 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.089 0.471 . . . . 0.0 112.031 -179.508 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' HIS . . . . . 0.417 ' HD2' ' CE1' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -118.07 174.8 6.0 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.799 179.544 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.587 ' CG2' HD21 ' A' ' 18' ' ' LEU . 32.1 mm -130.44 138.71 53.14 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.333 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.616 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 12.4 p90 -149.2 174.78 12.0 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.348 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.546 HG13 ' O ' ' A' ' 17' ' ' ARG . 41.4 t -95.06 123.64 47.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.845 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.541 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . 12.1 tptp -75.71 -40.74 55.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.746 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -175.88 176.23 1.85 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.817 0.342 . . . . 0.0 110.972 -179.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 3.7 mp -136.88 134.12 48.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.808 179.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 11.7 t -83.69 148.48 27.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -72.56 154.78 40.62 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.912 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 58.15 32.41 21.98 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.973 -179.443 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 60.9 m -112.57 166.58 11.2 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 14' ' ' TYR . 22.1 mt -57.18 -41.18 78.78 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.976 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.457 ' HB1' ' HB ' ' B' ' 39' ' ' ILE . . . -66.57 -44.63 81.74 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.982 179.321 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.32 -39.92 92.3 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.004 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.62 -41.45 60.38 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.707 179.342 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -62.1 -33.67 74.88 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.414 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.78 34.92 88.79 Favored Glycine 0 C--N 1.335 0.494 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.799 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.702 ' CB ' HG13 ' A' ' 3' ' ' VAL . 2.2 m-80 -116.12 -41.1 3.2 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 120.468 0.175 . . . . 0.0 111.419 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . 0.677 HD11 HG11 ' A' ' 3' ' ' VAL . 29.9 mm -86.82 125.45 40.84 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-O 120.71 0.291 . . . . 0.0 111.33 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -132.11 157.32 44.54 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -60.32 120.72 10.39 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.83 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.52 -14.13 46.82 Favored Glycine 0 CA--C 1.523 0.552 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.899 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -54.03 126.66 23.46 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.933 0.366 . . . . 0.0 111.125 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.9 t -99.44 106.17 18.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . 0.583 HG11 ' CD1' ' B' ' 48' ' ' ILE . 22.0 t -82.94 136.3 23.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-O 121.049 0.452 . . . . 0.0 111.462 -179.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.759 HD23 ' HG3' ' B' ' 47' ' ' LYS . 6.2 tt -109.65 -40.1 4.94 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.48 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . 0.759 ' HG3' HD23 ' B' ' 46' ' ' LEU . 24.7 mtpp -134.82 148.22 50.13 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -179.349 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.639 ' HB ' HD22 ' B' ' 64' ' ' LEU . 8.1 mm -123.52 119.0 56.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.628 179.213 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 20.1 p30 41.11 38.74 0.77 Allowed 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.136 0.574 . . . . 0.0 112.01 -179.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 87.21 37.77 8.13 Favored Glycine 0 C--N 1.336 0.582 0 C-N-CA 120.952 -0.642 . . . . 0.0 113.286 179.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.25 121.01 8.09 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.977 0.389 . . . . 0.0 110.616 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.677 HG12 ' H ' ' B' ' 54' ' ' GLU . 23.1 t -66.5 140.33 19.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.518 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.449 ' CG2' ' HB2' ' B' ' 61' ' ' ALA . 0.2 OUTLIER -121.04 24.33 10.2 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.726 -179.526 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' GLU . . . . . 0.677 ' H ' HG12 ' B' ' 52' ' ' VAL . 1.5 tt0 -97.9 148.1 23.78 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.822 0.344 . . . . 0.0 110.312 178.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . 0.44 ' O ' HD22 ' A' ' 58' ' ' LEU . 5.5 m-20 70.24 1.29 3.5 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.354 -179.66 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.19 168.23 9.2 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.744 0.307 . . . . 0.0 110.966 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 7.3 m -72.43 145.78 47.39 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.844 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.456 HD13 ' HB3' ' A' ' 20' ' ' SER . 39.0 tp -54.22 -30.21 49.22 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.943 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.22 -44.07 97.87 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.57 179.567 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -54.96 -45.43 74.94 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.449 ' HB2' ' CG2' ' B' ' 53' ' ' THR . . . -62.28 -39.57 93.38 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.997 178.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . 0.442 ' HG3' ' N ' ' B' ' 63' ' ' THR . 0.0 OUTLIER -62.72 -31.89 72.89 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.478 179.058 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' THR . . . . . 0.442 ' N ' ' HG3' ' B' ' 62' ' ' LYS . 0.2 OUTLIER -71.64 -39.18 70.56 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.89 179.506 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.639 HD22 ' HB ' ' B' ' 48' ' ' ILE . 1.2 mt -54.98 -37.46 66.57 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.496 179.602 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 34.0 mt -69.86 -32.03 50.34 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.649 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.46 -45.47 59.38 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.665 0.269 . . . . 0.0 110.747 179.497 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.49 -25.95 66.45 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.364 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . 0.542 ' CB ' ' HG ' ' B' ' 72' ' ' LEU . 2.3 m -74.52 84.92 2.03 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.911 0.386 . . . . 0.0 110.607 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -72.56 -32.05 65.75 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.64 -179.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -114.89 -107.05 2.65 Favored Glycine 0 C--N 1.337 0.601 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.758 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.76 150.01 36.25 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 120.853 0.358 . . . . 0.0 111.358 -179.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.772 HD12 ' CE2' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -126.95 131.02 51.19 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.791 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 49.5 mttt -119.26 133.39 55.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.244 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 8.6 mtp -139.42 145.6 39.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.963 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 24.8 t -113.72 110.92 33.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.559 179.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 5.2 m -100.73 163.11 3.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.237 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.049 179.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.25 152.9 18.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.13 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -145.04 155.62 43.46 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 179.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 4.7 t0 72.31 144.57 0.07 Allowed 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.329 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -165.28 -48.62 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.439 179.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 12.6 mt 68.43 136.94 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.002 0.43 . . . . 0.0 111.509 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 . . . . . 0 C--O 1.251 1.144 0 CA-C-O 118.327 -0.844 . . . . 0.0 110.735 179.825 . . . . . . . . 0 0 . 1 stop_ save_