data_1ucv_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 1ucv _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 ' 8' ' ' LEU . . . . . 0.491 ' CD1' ' HG ' ' A' ' 34' ' ' LEU . 4.5 pp . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.908 0.385 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 11' ' ' GLY . 9.6 t -105.28 148.92 26.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 74.6 t -39.97 -25.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.094 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -76.71 -52.46 5.9 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.451 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -47.93 -58.08 4.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.853 0.358 . . . . 0.0 110.854 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.575 ' CE3' ' HG ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.96 -63.44 1.21 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.575 ' HG ' ' CE3' ' A' ' 13' ' ' TRP . 37.8 mt -44.84 -41.27 6.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -53.63 -39.97 65.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.9 m -51.85 -41.19 61.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.438 HG13 ' CG ' ' A' ' 19' ' ' MET . 25.7 pt -98.14 12.7 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.8 mtt85 60.7 38.42 18.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.438 ' CG ' HG13 ' A' ' 17' ' ' ILE . 31.8 mmt -118.72 -1.73 11.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.459 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -50.27 -20.47 3.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.516 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -58.75 -25.53 63.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.35 . . . . 0.0 110.855 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.504 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 38.6 m-85 -90.99 -11.6 38.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 22' ' ' TYR . 11.9 ttt-85 -34.68 -63.22 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.495 ' OD1' ' CD2' ' A' ' 25' ' ' HIS . 2.9 p30 -37.21 -41.68 0.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.834 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.504 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 19.1 m-70 -57.04 -57.86 10.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.579 ' CG ' ' CD1' ' A' ' 48' ' ' LEU . 25.7 m-85 -45.29 -49.84 12.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.28 -31.75 45.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.26 -36.69 46.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.49 5.07 38.85 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.466 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.81 20.12 34.98 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.474 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.703 ' CE2' ' CG ' ' A' ' 40' ' ' MET . 85.1 m-85 -122.01 107.23 11.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 110.904 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.6 t -112.96 -11.46 13.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.5 m -133.31 175.44 9.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.86 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.491 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -80.9 -36.7 30.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -40.82 -35.65 0.96 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.77 -34.65 13.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.567 HG12 ' CZ3' ' A' ' 13' ' ' TRP . 51.6 t -59.47 -35.24 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.435 ' CD1' ' HB3' ' A' ' 66' ' ' MET . 4.1 mm? -66.24 -24.32 66.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -102.01 19.91 17.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.703 ' CG ' ' CE2' ' A' ' 31' ' ' TYR . 36.6 mtp -95.56 174.34 7.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.463 ' O ' ' N ' ' A' ' 44' ' ' ASP . 0.6 OUTLIER -161.14 169.51 22.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.459 ' N ' HD23 ' A' ' 60' ' ' LEU . . . -36.78 -45.56 0.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.087 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -54.9 -43.16 72.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 41' ' ' ASN . 5.1 m-20 -77.92 -51.21 10.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 87.8 t -52.6 -54.39 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -47.17 -43.82 21.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.03 -36.7 70.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.579 ' CD1' ' CG ' ' A' ' 26' ' ' PHE . 18.5 mt -60.55 -22.9 64.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.959 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 119.51 -27.37 6.94 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.426 ' O ' ' CG ' ' A' ' 56' ' ' GLN . 2.5 mp -69.63 102.71 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.926 0.393 . . . . 0.0 111.072 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.456 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 52.2 p -118.01 -27.5 6.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.137 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.2 mp -50.09 112.49 0.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.437 ' HA ' ' CE ' ' A' ' 53' ' ' MET . 11.8 mmm -43.13 -44.51 5.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -53.09 -34.66 47.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.484 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.495 ' O ' ' N ' ' A' ' 58' ' ' LYS . 13.0 m170 -96.92 -58.54 2.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.763 0.316 . . . . 0.0 110.833 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.456 ' NE2' ' HA ' ' A' ' 51' ' ' THR . 10.4 mt-30 -36.68 -40.86 0.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -62.74 -43.42 98.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.1 OUTLIER -59.17 -64.81 0.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.903 179.89 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 72.0 mt -49.25 -64.4 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.459 HD23 ' N ' ' A' ' 42' ' ' ALA . 16.9 mt -52.3 -57.87 8.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -56.08 -28.9 54.84 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.6 t -77.13 -27.92 54.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.847 0.356 . . . . 0.0 110.858 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 84.3 mt -84.48 -48.29 16.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -49.54 -29.45 6.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.892 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.455 HG23 ' N ' ' A' ' 66' ' ' MET . 15.3 t -90.04 -30.0 18.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.54 ' HE3' ' CD1' ' A' ' 13' ' ' TRP . 11.7 mtm . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.49 ' CD1' ' HG ' ' A' ' 34' ' ' LEU . 4.4 pp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.944 0.402 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 11' ' ' GLY . 12.6 t -105.73 148.63 27.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.157 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.442 ' CG1' HD11 ' A' ' 14' ' ' LEU . 92.3 t -39.29 -25.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.157 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -76.42 -49.14 8.45 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.485 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.16 -57.51 8.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.818 0.342 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.599 ' CD1' ' SD ' ' A' ' 66' ' ' MET . 0.1 OUTLIER -58.45 -63.06 1.41 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.584 ' HG ' ' CE3' ' A' ' 13' ' ' TRP . 47.0 mt -44.82 -46.57 10.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.96 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -48.66 -44.56 37.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.1 t -51.98 -44.0 63.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.831 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.424 HG13 ' CG ' ' A' ' 19' ' ' MET . 40.2 pt -90.47 13.73 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.11 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 61.64 33.67 18.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.424 ' CG ' HG13 ' A' ' 17' ' ' ILE . 28.4 mmt -119.48 -1.21 10.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.453 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -52.82 -21.48 9.92 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.446 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -63.14 -22.1 66.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.812 0.339 . . . . 0.0 110.876 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.531 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 36.4 m-85 -92.29 -10.09 39.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.929 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -38.27 -59.38 0.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -40.19 -38.13 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.828 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.531 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 16.1 m-70 -60.55 -59.95 4.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.579 ' CD2' HD11 ' A' ' 48' ' ' LEU . 34.2 m-85 -45.3 -47.14 13.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.864 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.77 -30.56 57.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.095 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.95 -36.8 56.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -77.96 6.44 48.74 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.481 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.18 14.6 57.27 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.518 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.548 ' CG ' ' SD ' ' A' ' 40' ' ' MET . 72.1 m-85 -119.99 103.4 9.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.928 0.394 . . . . 0.0 110.926 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.43 ' C ' HG22 ' A' ' 10' ' ' VAL . 72.3 p -119.69 1.77 11.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.839 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.7 m -132.8 167.46 20.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.49 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -79.89 -41.43 26.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -49.55 -35.73 22.86 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.491 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 7.6 ptp -88.88 -32.37 17.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.555 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 3.6 t -63.53 -36.53 76.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.3 mt -61.06 -15.28 30.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -98.1 -6.22 32.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.548 ' SD ' ' CG ' ' A' ' 31' ' ' TYR . 48.4 mtp -76.06 172.19 13.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 42' ' ' ALA . 66.9 m-80 -161.89 168.14 23.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 41' ' ' ASN . . . -33.66 -45.89 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.061 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -55.65 -53.61 54.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.97 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -69.69 -54.31 14.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.418 HG23 ' CD2' ' A' ' 60' ' ' LEU . 79.9 t -47.5 -54.21 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.417 ' CD ' ' C ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -47.31 -44.95 23.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.916 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.71 -32.87 65.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.579 HD11 ' CD2' ' A' ' 26' ' ' PHE . 51.9 mt -63.63 -23.65 67.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 121.25 -28.2 6.12 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.519 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.494 ' O ' ' CG ' ' A' ' 56' ' ' GLN . 2.9 mp -68.04 102.53 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.909 0.385 . . . . 0.0 111.15 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.468 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 59.5 p -119.65 -23.26 6.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.133 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 53' ' ' MET . 3.8 mm? -50.25 113.61 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.877 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.497 ' O ' ' CG ' ' A' ' 57' ' ' LYS . 0.1 OUTLIER -35.85 -52.99 0.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.92 -48.22 68.16 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.464 ' CD2' ' N ' ' A' ' 55' ' ' HIS . 7.2 m170 -70.24 -60.77 2.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.774 0.321 . . . . 0.0 110.846 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.494 ' CG ' ' O ' ' A' ' 50' ' ' ILE . 17.5 mt-30 -46.4 -40.85 12.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.497 ' CG ' ' O ' ' A' ' 53' ' ' MET . 22.5 mmtt -62.48 -48.59 78.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.427 ' N ' ' HD2' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -58.62 -59.52 5.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.878 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 63.5 mt -54.1 -65.29 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.436 HD23 ' N ' ' A' ' 42' ' ' ALA . 59.2 mt -52.52 -59.62 4.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -54.26 -29.28 45.28 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.408 ' O ' ' SD ' ' A' ' 66' ' ' MET . 37.9 m -80.05 -27.36 39.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.815 0.341 . . . . 0.0 110.85 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 94.1 mt -81.02 -49.38 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.465 ' HG3' ' N ' ' A' ' 65' ' ' THR . 0.3 OUTLIER -49.88 -37.67 32.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.958 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.465 ' N ' ' HG3' ' A' ' 64' ' ' GLN . 10.0 t -84.19 -30.97 25.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.165 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.599 ' SD ' ' CD1' ' A' ' 13' ' ' TRP . 10.4 mtp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.845 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.494 ' CD1' ' HG ' ' A' ' 34' ' ' LEU . 4.3 pp . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.906 0.384 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.406 ' O ' HD12 ' A' ' 8' ' ' LEU . 9.6 t -104.97 147.05 28.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.424 HG13 ' CD1' ' A' ' 14' ' ' LEU . 63.8 t -37.45 -33.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -68.39 -54.7 15.01 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.492 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -45.73 -62.21 1.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.762 0.315 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.578 ' CE3' ' HG ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -52.1 -62.49 1.6 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.578 ' HG ' ' CE3' ' A' ' 13' ' ' TRP . 52.1 mt -47.49 -36.21 9.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -56.82 -37.78 71.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.6 t -57.03 -40.71 77.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.465 HD12 ' CG ' ' A' ' 19' ' ' MET . 17.0 pt -94.9 18.71 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.185 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 45.0 mtm180 54.02 35.24 21.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.465 ' CG ' HD12 ' A' ' 17' ' ' ILE . 39.5 mmm -119.63 2.88 11.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -51.21 -17.67 2.75 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.505 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -62.8 -25.41 68.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.777 0.322 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.58 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 39.5 m-85 -91.66 -8.54 46.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -45.99 -42.57 13.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.873 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -57.35 -31.55 65.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.58 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 10.3 m-70 -66.65 -54.9 18.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.613 ' CD1' ' CD1' ' A' ' 48' ' ' LEU . 21.0 m-85 -46.76 -45.87 20.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.51 -29.27 61.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.078 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.57 -34.8 40.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.108 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.15 8.85 50.23 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.9 15.05 58.5 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.544 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.602 ' CD2' ' SD ' ' A' ' 40' ' ' MET . 75.1 m-85 -121.25 105.46 10.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.935 0.398 . . . . 0.0 110.889 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.2 t -117.69 -12.66 10.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.882 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.0 m -120.63 169.97 9.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.494 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -80.99 -42.24 21.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.874 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -47.1 -30.76 5.53 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.478 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 8.0 ptp -94.39 -23.18 17.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.798 0.332 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.506 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 12.7 t -72.05 -32.11 42.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.149 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.1 -21.66 66.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -98.0 19.79 13.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.602 ' SD ' ' CD2' ' A' ' 31' ' ' TYR . 23.1 mtp -103.5 162.79 12.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -148.07 -179.6 7.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -42.46 -44.5 4.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -57.46 -47.82 80.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.447 ' CB ' ' HE2' ' A' ' 40' ' ' MET . 26.4 m-20 -70.22 -58.16 4.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.8 t -50.17 -54.06 9.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -49.84 -41.02 44.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.29 -37.68 75.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.079 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.613 ' CD1' ' CD1' ' A' ' 26' ' ' PHE . 38.5 mt -58.7 -25.84 63.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 124.33 -23.6 6.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.482 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.467 HG13 ' CD1' ' A' ' 22' ' ' TYR . 2.9 mp -72.5 103.63 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.895 0.379 . . . . 0.0 111.09 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.478 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 1.5 p -118.37 -28.57 5.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.117 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 53' ' ' MET . 2.3 mt -50.87 109.63 0.34 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.424 ' C ' ' O ' ' A' ' 52' ' ' LEU . 37.2 mmt -36.57 -56.6 0.81 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -42.77 -40.18 3.88 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.494 ' O ' ' N ' ' A' ' 58' ' ' LYS . 21.4 m170 -89.58 -58.62 2.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.74 0.305 . . . . 0.0 110.843 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.478 ' NE2' ' HA ' ' A' ' 51' ' ' THR . 11.2 mt-30 -39.66 -41.04 1.0 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -65.45 -37.62 87.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.2 OUTLIER -64.85 -62.05 1.8 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.915 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 77.6 mt -52.19 -58.1 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.127 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.6 mt -59.7 -58.27 9.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -54.67 -28.22 45.32 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.456 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.3 t -76.63 -25.63 54.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.897 0.379 . . . . 0.0 110.889 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 82.3 mt -86.04 -49.77 14.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.182 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -46.52 -30.37 2.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.941 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.415 HG21 ' N ' ' A' ' 66' ' ' MET . 8.8 t -88.63 -30.75 18.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.463 ' HE2' ' CD1' ' A' ' 34' ' ' LEU . 15.4 mtm . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.495 ' CD1' ' HG ' ' A' ' 34' ' ' LEU . 4.3 pp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.91 0.386 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.533 ' O ' ' N ' ' A' ' 11' ' ' GLY . 9.7 t -106.22 148.1 28.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.471 ' CG1' HD11 ' A' ' 14' ' ' LEU . 68.0 t -35.39 -29.15 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.133 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -72.07 -51.61 13.74 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.442 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.426 ' CB ' ' HB2' ' A' ' 8' ' ' LEU . 5.4 t0 -48.07 -64.86 0.68 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.848 0.356 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.576 ' CH2' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -50.87 -63.64 1.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.571 HD22 ' CH2' ' A' ' 13' ' ' TRP . 47.6 mt -44.77 -42.12 7.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -52.85 -39.72 62.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.7 t -52.06 -44.49 64.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.411 HG13 ' CG ' ' A' ' 19' ' ' MET . 34.2 pt -94.04 14.28 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.12 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 48.4 mtp180 60.29 37.15 20.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.411 ' CG ' HG13 ' A' ' 17' ' ' ILE . 32.0 mmt -118.67 -1.82 11.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.431 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -51.14 -20.71 4.93 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.487 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -60.44 -25.18 65.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 0.0 110.865 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.542 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 33.9 m-85 -90.55 -9.91 45.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 22' ' ' TYR . 24.2 ttt180 -37.94 -60.64 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -39.2 -38.11 0.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.826 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.542 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 15.4 m-70 -61.12 -58.41 8.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.62 ' CG ' ' CD1' ' A' ' 48' ' ' LEU . 23.7 m-85 -46.02 -47.0 16.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.65 -29.66 59.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.121 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.43 -34.96 41.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.48 8.18 49.26 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.23 16.67 57.12 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.517 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.592 ' CD1' ' SD ' ' A' ' 40' ' ' MET . 80.1 m-85 -121.51 101.69 7.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.848 0.356 . . . . 0.0 110.914 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.419 ' C ' HG21 ' A' ' 10' ' ' VAL . 60.2 p -114.57 -9.68 12.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.4 m -123.35 168.5 12.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.823 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.495 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -78.2 -43.29 28.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.874 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -46.11 -45.2 14.98 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 7.6 ptp -78.55 -20.86 49.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.576 HG12 ' CH2' ' A' ' 13' ' ' TRP . 10.8 t -75.96 -37.24 33.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 41.3 mt -61.9 -19.27 62.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -101.49 19.9 17.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.592 ' SD ' ' CD1' ' A' ' 31' ' ' TYR . 37.7 mtp -99.49 166.43 11.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.477 ' O ' ' N ' ' A' ' 44' ' ' ASP . 2.2 m-80 -151.25 168.24 25.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 41' ' ' ASN . . . -34.33 -48.12 0.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -53.68 -45.7 70.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 41' ' ' ASN . 66.3 m-20 -72.19 -59.7 2.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.456 HG22 ' CD2' ' A' ' 60' ' ' LEU . 86.1 t -48.15 -53.85 5.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.84 -44.16 28.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.86 -35.31 68.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.075 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.62 ' CD1' ' CG ' ' A' ' 26' ' ' PHE . 22.7 mt -60.49 -25.47 66.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 124.03 -27.2 5.68 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.492 ' O ' ' CG ' ' A' ' 56' ' ' GLN . 2.9 mp -70.16 103.25 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.9 0.381 . . . . 0.0 111.153 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.466 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 44.4 p -117.91 -28.2 5.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.9 mp -50.05 115.38 1.39 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.934 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 35.6 mmt -43.8 -48.74 8.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -52.14 -31.09 32.96 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.476 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.468 ' O ' ' N ' ' A' ' 58' ' ' LYS . 14.0 m170 -97.0 -62.49 1.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.752 0.31 . . . . 0.0 110.86 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.492 ' CG ' ' O ' ' A' ' 50' ' ' ILE . 12.9 mt-30 -36.73 -47.35 0.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -57.52 -43.24 84.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -60.38 -64.52 0.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.906 179.832 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 74.0 mt -50.99 -63.45 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.456 ' CD2' HG22 ' A' ' 45' ' ' VAL . 15.5 mt -55.94 -59.91 4.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -51.84 -32.48 33.62 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.545 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.418 ' O ' ' HB2' ' A' ' 66' ' ' MET . 24.6 t -71.93 -34.23 68.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.849 0.357 . . . . 0.0 110.867 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' A' ' 66' ' ' MET . 62.2 mt -79.04 -54.77 11.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -38.9 -34.06 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.481 HG22 ' N ' ' A' ' 66' ' ' MET . 15.0 t -94.24 -27.15 16.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.491 ' N ' ' O ' ' A' ' 63' ' ' ILE . 4.1 ttm . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.494 ' CD1' ' HG ' ' A' ' 34' ' ' LEU . 4.4 pp . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.932 0.396 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 11' ' ' GLY . 12.8 t -106.16 147.45 29.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.426 HG22 ' C ' ' A' ' 32' ' ' SER . 78.8 t -38.72 -25.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -75.85 -51.64 6.92 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -49.2 -58.46 4.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.803 0.335 . . . . 0.0 110.847 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.569 ' CE3' ' HG ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.06 -63.56 1.14 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.569 ' HG ' ' CE3' ' A' ' 13' ' ' TRP . 39.1 mt -44.97 -42.84 8.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.939 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -51.01 -42.57 60.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.4 t -52.64 -41.22 63.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.449 ' CD1' ' HG3' ' A' ' 19' ' ' MET . 24.8 pt -96.39 18.45 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.135 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 47.1 mtt85 55.85 33.56 21.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.449 ' HG3' ' CD1' ' A' ' 17' ' ' ILE . 34.3 mmt -115.09 -2.17 12.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.461 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -50.51 -25.81 9.23 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -57.81 -25.97 61.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.851 0.358 . . . . 0.0 110.857 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.532 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 32.9 m-85 -88.74 -10.51 48.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -39.14 -57.8 1.26 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -41.51 -37.61 1.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.532 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 15.5 m-70 -61.05 -60.0 4.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.57 ' CD2' HD13 ' A' ' 48' ' ' LEU . 31.3 m-85 -44.62 -45.99 9.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.25 -32.65 56.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.28 -39.09 60.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.87 3.36 36.58 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.5 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.53 16.76 51.75 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.467 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.544 ' CG ' ' SD ' ' A' ' 40' ' ' MET . 85.3 m-85 -118.94 107.96 14.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.898 0.38 . . . . 0.0 110.946 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.426 ' C ' HG22 ' A' ' 10' ' ' VAL . 5.2 t -119.96 -10.39 9.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.85 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.8 m -122.23 169.04 11.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.494 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -81.67 -41.26 21.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.884 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -48.84 -30.07 8.73 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.431 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.3 ptp -94.38 -26.02 16.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.339 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.47 HG13 ' CZ3' ' A' ' 13' ' ' TRP . 5.7 t -69.04 -42.17 81.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -56.46 -22.35 31.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.7 mmt85 -87.96 -18.05 29.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.544 ' SD ' ' CG ' ' A' ' 31' ' ' TYR . 39.5 mtp -65.21 179.27 0.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.507 ' O ' ' N ' ' A' ' 44' ' ' ASP . 0.9 OUTLIER -169.09 164.46 11.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.462 ' CA ' HD21 ' A' ' 60' ' ' LEU . . . -32.81 -37.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.075 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 41' ' ' ASN . 9.1 tm0? -63.09 -48.89 76.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 41' ' ' ASN . 66.1 m-20 -77.3 -44.36 29.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.459 ' CG1' HD11 ' A' ' 60' ' ' LEU . 42.8 t -53.48 -55.38 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.453 ' CD ' HG22 ' A' ' 51' ' ' THR . 4.5 tmm_? -47.52 -45.09 26.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.87 -34.77 60.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.074 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.57 HD13 ' CD2' ' A' ' 26' ' ' PHE . 36.4 mt -63.89 -25.31 68.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 123.49 -30.24 4.99 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.511 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.441 HG22 ' CD1' ' A' ' 59' ' ' ILE . 2.3 mp -66.25 101.66 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.873 0.368 . . . . 0.0 111.151 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.462 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 74.4 p -119.98 -18.72 8.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.464 ' O ' ' C ' ' A' ' 53' ' ' MET . 3.6 mm? -50.33 107.38 0.16 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.464 ' C ' ' O ' ' A' ' 52' ' ' LEU . 0.3 OUTLIER -32.36 -55.23 0.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.904 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -53.79 -49.11 59.56 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -68.93 -59.36 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.735 0.303 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.462 ' NE2' ' HA ' ' A' ' 51' ' ' THR . 19.5 mt-30 -45.37 -32.09 1.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.936 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -70.42 -34.16 72.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' A' ' 58' ' ' LYS . 5.9 mmtt -73.52 -56.4 5.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.441 ' CD1' HG22 ' A' ' 50' ' ' ILE . 63.4 mt -55.08 -60.17 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.126 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.462 HD21 ' CA ' ' A' ' 42' ' ' ALA . 9.6 mp -62.05 -52.12 65.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -55.71 -35.37 62.44 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.45 ' O ' ' CG2' ' A' ' 65' ' ' THR . 10.0 t -75.62 -36.85 60.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.883 0.373 . . . . 0.0 110.855 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.428 HD13 ' CH2' ' A' ' 13' ' ' TRP . 89.8 mt -69.92 -53.49 23.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.155 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.46 ' HG3' ' N ' ' A' ' 65' ' ' THR . 1.0 OUTLIER -48.29 -32.53 7.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.46 ' N ' ' HG3' ' A' ' 64' ' ' GLN . 9.5 t -87.64 -38.33 15.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.47 ' HE1' ' NE1' ' A' ' 13' ' ' TRP . 18.6 mtm . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.495 ' CD1' ' HG ' ' A' ' 34' ' ' LEU . 4.3 pp . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.908 0.385 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 11' ' ' GLY . 9.9 t -105.59 145.92 30.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.183 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.418 HG23 ' C ' ' A' ' 32' ' ' SER . 69.8 t -36.86 -28.32 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.075 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -72.73 -48.03 23.88 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.452 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 9' ' ' THR . 0.6 OUTLIER -53.03 -63.78 1.04 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.801 0.334 . . . . 0.0 110.866 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.593 ' CE3' ' HG ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -50.57 -60.11 3.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.968 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.593 ' HG ' ' CE3' ' A' ' 13' ' ' TRP . 40.5 mt -48.11 -49.21 32.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -49.15 -37.47 22.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.8 t -53.92 -46.73 71.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.436 HG13 ' CG ' ' A' ' 19' ' ' MET . 46.9 pt -91.9 16.95 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.153 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.3 mtm-85 63.23 31.57 15.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.571 ' HE1' ' CD2' ' A' ' 55' ' ' HIS . 32.6 mmt -115.63 -0.27 13.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.408 ' HA2' ' CB ' ' A' ' 14' ' ' LEU . . . -52.57 -14.4 2.41 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.485 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -69.09 -25.88 64.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.839 0.352 . . . . 0.0 110.879 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.563 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 43.1 m-85 -92.86 -6.94 47.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.49 ' CG ' ' N ' ' A' ' 24' ' ' ASP . 4.6 ptm180 -43.38 -50.45 6.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.49 ' N ' ' CG ' ' A' ' 23' ' ' ARG . 6.0 t0 -50.27 -35.25 26.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.563 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 13.4 m-70 -62.45 -56.74 15.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.586 ' CG ' ' CD1' ' A' ' 48' ' ' LEU . 24.6 m-85 -46.48 -48.97 18.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.95 -35.29 66.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.088 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.59 -33.14 64.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.074 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.63 5.42 64.8 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.467 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.35 14.12 49.15 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.539 ' CD1' ' SD ' ' A' ' 40' ' ' MET . 68.1 m-85 -122.29 100.37 6.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.914 0.388 . . . . 0.0 110.924 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.418 ' C ' HG23 ' A' ' 10' ' ' VAL . 42.1 m -110.58 -9.48 14.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.896 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.5 m -123.33 169.16 11.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.855 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.495 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -78.04 -44.85 25.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -44.95 -45.82 9.3 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.511 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 6.7 ptp -76.82 -22.55 53.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.496 HG12 ' CZ3' ' A' ' 13' ' ' TRP . 11.3 t -77.67 -29.16 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.127 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.466 ' HA ' ' CG2' ' A' ' 63' ' ' ILE . 5.9 mp -68.8 -23.02 64.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -97.43 15.56 22.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.539 ' SD ' ' CD1' ' A' ' 31' ' ' TYR . 54.2 mtp -94.53 173.04 7.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.498 ' O ' ' N ' ' A' ' 44' ' ' ASP . 57.3 m-80 -155.35 166.58 33.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 41' ' ' ASN . . . -34.06 -48.55 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.07 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -53.94 -44.71 70.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.498 ' N ' ' O ' ' A' ' 41' ' ' ASN . 0.5 OUTLIER -72.64 -60.74 2.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 77.0 t -47.94 -53.01 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.421 ' CD ' HG22 ' A' ' 51' ' ' THR . 0.0 OUTLIER -47.83 -44.89 29.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.17 -32.55 64.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.094 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.586 ' CD1' ' CG ' ' A' ' 26' ' ' PHE . 59.3 mt -63.17 -23.2 67.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 121.03 -23.69 7.65 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.499 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.551 HG13 ' CD1' ' A' ' 22' ' ' TYR . 2.7 mp -74.87 103.72 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 111.153 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.441 ' HA ' ' CD ' ' A' ' 56' ' ' GLN . 48.4 p -119.85 -23.87 6.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.2 mp -50.02 116.02 1.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 17.9 mmt -44.39 -53.0 7.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.413 ' O ' ' CG ' ' A' ' 58' ' ' LYS . . . -52.12 -26.1 19.45 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.482 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.571 ' CD2' ' HE1' ' A' ' 19' ' ' MET . 37.5 m170 -97.69 -64.93 1.0 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.736 0.303 . . . . 0.0 110.863 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.441 ' CD ' ' HA ' ' A' ' 51' ' ' THR . 17.2 mt-30 -39.25 -45.26 1.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -56.26 -39.68 73.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.528 ' N ' ' HD2' ' A' ' 58' ' ' LYS . 4.2 mmmm -69.32 -62.29 1.44 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.468 HD13 ' CG2' ' A' ' 50' ' ' ILE . 87.0 mt -48.02 -54.95 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.2 mt -62.81 -56.66 15.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.35 -22.63 51.54 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.499 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 58' ' ' LYS . 29.2 t -82.4 -24.37 34.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.804 0.335 . . . . 0.0 110.819 -179.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.498 ' O ' ' N ' ' A' ' 66' ' ' MET . 96.0 mt -84.24 -55.42 7.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.142 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -39.55 -39.52 0.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.6 t -78.4 -32.33 48.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.498 ' N ' ' O ' ' A' ' 63' ' ' ILE . 23.5 mtm . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.496 ' CD1' ' HG ' ' A' ' 34' ' ' LEU . 4.5 pp . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.928 0.394 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 11' ' ' GLY . 11.6 t -107.02 148.17 29.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.457 ' HB ' ' CD ' ' A' ' 23' ' ' ARG . 46.2 t -39.37 -25.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -76.86 -49.34 7.82 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.471 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.66 -59.8 3.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.806 0.336 . . . . 0.0 110.849 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.568 ' CZ3' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -55.47 -63.94 1.0 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.504 ' HG ' ' CE3' ' A' ' 13' ' ' TRP . 45.9 mt -44.58 -45.95 9.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -50.39 -45.26 55.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 53.5 m -51.21 -47.87 62.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.836 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 26.3 pt -84.37 12.5 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.145 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.5 mtm180 61.54 33.77 18.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 31.2 mmt -119.66 2.17 11.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -51.94 -20.62 6.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.1 ptp85 -62.31 -24.81 67.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.348 . . . . 0.0 110.874 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.589 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 32.6 m-85 -89.49 -10.54 45.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.95 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.457 ' CD ' ' HB ' ' A' ' 10' ' ' VAL . 8.9 tpt180 -42.47 -55.98 3.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.852 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -42.93 -32.9 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.589 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 11.9 m-70 -66.38 -59.45 3.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.805 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.625 ' CG ' ' CD1' ' A' ' 48' ' ' LEU . 25.8 m-85 -47.25 -44.06 22.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.55 -29.73 59.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.79 -39.23 24.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.4 0.2 34.53 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.526 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.07 18.66 36.11 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.454 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.594 ' CD1' ' SD ' ' A' ' 40' ' ' MET . 78.7 m-85 -120.52 100.92 7.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.878 0.371 . . . . 0.0 110.875 -179.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.0 t -112.28 -13.19 13.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.6 m -119.11 167.23 12.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.496 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -78.51 -42.51 29.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.908 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -47.2 -44.11 19.62 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.516 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 8.0 ptp -77.75 -24.37 49.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.812 0.339 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.568 HG12 ' CZ3' ' A' ' 13' ' ' TRP . 7.7 t -76.4 -30.43 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.118 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.428 HD11 ' N ' ' A' ' 38' ' ' LEU . 1.7 mp -66.64 -20.97 66.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -99.62 15.4 26.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.594 ' SD ' ' CD1' ' A' ' 31' ' ' TYR . 27.2 mtp -96.7 171.05 8.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.456 ' O ' ' C ' ' A' ' 42' ' ' ALA . 58.8 m-80 -157.0 165.24 36.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 41' ' ' ASN . . . -33.27 -44.92 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -52.32 -52.12 54.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 41' ' ' ASN . 32.5 m-20 -72.23 -51.68 19.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.1 t -48.56 -55.55 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.45 ' CD ' HG22 ' A' ' 51' ' ' THR . 3.1 tmm_? -43.55 -47.27 7.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.11 -34.21 55.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.147 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.625 ' CD1' ' CG ' ' A' ' 26' ' ' PHE . 19.3 mt -62.7 -27.5 69.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 123.88 -29.09 5.25 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.532 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.55 HG13 ' CD1' ' A' ' 22' ' ' TYR . 2.1 mp -68.2 99.96 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.869 0.366 . . . . 0.0 111.107 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.45 HG22 ' CD ' ' A' ' 46' ' ' ARG . 47.9 p -116.7 -27.45 6.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.178 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.3 mt -50.1 112.3 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.429 ' HA ' ' CE ' ' A' ' 53' ' ' MET . 25.1 mmt -42.66 -44.47 4.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -52.49 -35.47 44.7 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.499 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.502 ' O ' ' N ' ' A' ' 58' ' ' LYS . 17.8 m170 -95.79 -60.08 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.748 0.309 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.489 ' CG ' ' O ' ' A' ' 50' ' ' ILE . 11.1 mt-30 -36.71 -39.76 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -62.8 -43.53 98.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.2 OUTLIER -59.87 -67.71 0.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.832 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 73.2 mt -45.5 -62.58 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.443 HD21 ' N ' ' A' ' 42' ' ' ALA . 16.6 mt -54.56 -56.98 13.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -50.82 -35.31 31.13 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.403 ' O ' ' SD ' ' A' ' 66' ' ' MET . 4.6 t -78.84 -31.13 45.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 0.0 110.85 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 85.6 mt -75.71 -58.19 4.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.147 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.439 ' HG3' ' N ' ' A' ' 65' ' ' THR . 1.6 pp0? -39.82 -39.36 0.79 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.439 ' N ' ' HG3' ' A' ' 64' ' ' GLN . 9.4 t -84.42 -42.98 15.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.469 ' HE2' ' CD1' ' A' ' 34' ' ' LEU . 11.0 mtp . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.495 ' CD1' HD22 ' A' ' 34' ' ' LEU . 4.4 pp . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.952 0.406 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 11' ' ' GLY . 5.8 t -106.55 147.36 29.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.174 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.447 ' CG1' HD12 ' A' ' 14' ' ' LEU . 69.5 t -36.75 -28.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -72.42 -53.62 8.56 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.502 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -46.5 -62.91 1.16 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.845 0.355 . . . . 0.0 110.853 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.57 ' CZ3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -52.84 -63.4 1.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.566 ' HG ' ' CE3' ' A' ' 13' ' ' TRP . 58.7 mt -46.67 -35.61 6.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -60.64 -37.82 82.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.835 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 t -56.35 -40.71 74.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.453 HD13 ' CG ' ' A' ' 19' ' ' MET . 16.6 pt -92.57 15.17 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.155 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 57.56 31.07 19.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.453 ' CG ' HD13 ' A' ' 17' ' ' ILE . 34.6 mmm -115.43 3.11 14.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.14 -19.67 2.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -58.95 -25.83 63.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.844 0.355 . . . . 0.0 110.914 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.58 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 31.4 m-85 -92.69 -9.07 42.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.0 ptt-85 -46.45 -41.46 13.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -59.33 -30.89 68.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.58 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 9.6 m-70 -66.67 -55.75 13.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.629 ' CG ' ' CD1' ' A' ' 48' ' ' LEU . 21.4 m-85 -45.23 -45.12 11.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.26 -31.66 61.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.04 -39.55 63.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.079 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.12 -0.58 61.31 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.26 15.43 44.44 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.462 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.563 ' CD1' ' SD ' ' A' ' 40' ' ' MET . 88.9 m-85 -116.46 107.58 14.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.827 0.346 . . . . 0.0 110.935 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.1 t -119.84 -12.1 9.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.5 m -118.29 164.54 15.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.495 HD22 ' CD1' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -76.91 -42.26 40.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -47.32 -44.63 21.09 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.506 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.5 ptp -78.96 -24.31 43.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.828 0.347 . . . . 0.0 110.879 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.57 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 7.5 t -76.01 -29.15 19.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.44 HD11 ' N ' ' A' ' 38' ' ' LEU . 1.9 mp -67.83 -23.14 65.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -97.23 13.01 30.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.563 ' SD ' ' CD1' ' A' ' 31' ' ' TYR . 27.4 mtp -95.25 -178.98 4.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.487 ' O ' ' N ' ' A' ' 44' ' ' ASP . 0.7 OUTLIER -168.73 164.18 12.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.894 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 41' ' ' ASN . . . -33.25 -41.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.054 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 16.0 tp60 -56.89 -47.98 79.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 41' ' ' ASN . 41.3 m-20 -78.96 -42.99 25.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.4 t -55.33 -52.68 43.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -44.19 -45.76 8.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.72 -34.56 53.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.629 ' CD1' ' CG ' ' A' ' 26' ' ' PHE . 14.3 mt -64.84 -29.7 70.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 126.35 -28.86 4.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.473 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.574 HG13 ' CD1' ' A' ' 22' ' ' TYR . 2.8 mp -66.18 100.0 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.884 0.373 . . . . 0.0 111.16 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.497 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 70.9 p -120.04 -25.65 5.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.143 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 55' ' ' HIS . 3.1 mm? -45.57 102.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.476 ' C ' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -32.02 -41.32 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . -64.89 -46.25 90.01 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.449 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.5 ' N ' ' O ' ' A' ' 52' ' ' LEU . 11.3 m170 -74.4 -57.52 3.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.762 0.315 . . . . 0.0 110.885 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.497 ' NE2' ' HA ' ' A' ' 51' ' ' THR . 18.9 mt-30 -41.33 -44.15 2.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.959 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.4 mttm -56.92 -45.45 82.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.37 -62.93 1.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.3 mt -53.71 -66.92 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.128 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.1 mp -47.78 -54.29 12.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.1 -33.47 79.72 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.519 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.0 t -71.5 -32.72 68.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 110.886 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 95.0 mt -73.69 -50.8 27.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.174 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.423 ' HG2' ' N ' ' A' ' 65' ' ' THR . 3.5 pt20 -45.37 -36.7 4.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.473 HG22 ' N ' ' A' ' 66' ' ' MET . 14.8 t -81.98 -26.79 33.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.518 ' HE1' ' CD2' ' A' ' 13' ' ' TRP . 34.7 mtm . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.485 ' CD1' ' HG ' ' A' ' 34' ' ' LEU . 4.5 pp . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.882 0.373 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.504 ' O ' ' N ' ' A' ' 11' ' ' GLY . 9.0 t -105.44 146.61 29.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.6 t -37.95 -26.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -75.47 -49.95 8.71 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.508 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.43 -57.48 7.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.749 0.309 . . . . 0.0 110.857 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.607 ' CE3' ' HG ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -58.33 -60.54 3.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.937 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.607 ' HG ' ' CE3' ' A' ' 13' ' ' TRP . 30.7 mt -47.04 -40.52 14.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -52.93 -40.24 63.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.6 t -51.48 -44.03 62.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.447 HG13 ' CG ' ' A' ' 19' ' ' MET . 30.9 pt -96.0 14.53 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.07 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.8 mmt85 57.83 39.7 26.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.447 ' CG ' HG13 ' A' ' 17' ' ' ILE . 31.2 mmt -118.51 -0.82 11.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.456 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -50.52 -17.88 2.2 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.482 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.545 ' NH1' ' CE1' ' A' ' 22' ' ' TYR . 8.4 ptm180 -61.4 -25.56 67.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.838 0.351 . . . . 0.0 110.918 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.578 ' CE2' HG23 ' A' ' 50' ' ' ILE . 16.4 m-85 -90.54 -13.07 35.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.944 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.455 ' C ' ' O ' ' A' ' 22' ' ' TYR . 17.9 ttt180 -33.7 -65.64 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 23' ' ' ARG . 0.5 OUTLIER -36.35 -41.78 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.563 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 16.9 m-70 -56.71 -58.85 6.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.819 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.574 ' CD2' HD12 ' A' ' 48' ' ' LEU . 37.2 m-85 -43.83 -50.06 8.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.93 -31.34 39.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.9 -38.29 37.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.459 ' HA3' ' CD2' ' A' ' 48' ' ' LEU . . . -74.15 2.87 41.73 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.539 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.83 18.69 33.83 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.504 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.707 ' CE2' ' CG ' ' A' ' 40' ' ' MET . 62.0 m-85 -121.22 100.17 6.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.892 0.377 . . . . 0.0 110.942 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.9 t -111.32 11.34 21.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.825 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.1 m -155.01 173.14 17.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.485 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -79.63 -37.94 34.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -39.53 -35.57 0.56 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.66 -36.16 12.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.561 HG13 ' CZ3' ' A' ' 13' ' ' TRP . 77.7 t -58.7 -37.81 67.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.476 HD21 ' N ' ' A' ' 38' ' ' LEU . 4.3 mm? -59.38 -22.33 61.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.7 ptp85 -108.55 19.95 19.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.707 ' CG ' ' CE2' ' A' ' 31' ' ' TYR . 23.2 mtp -95.28 160.7 14.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.479 ' O ' ' N ' ' A' ' 44' ' ' ASP . 22.1 m-80 -151.17 171.64 17.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.864 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.471 ' N ' HD23 ' A' ' 60' ' ' LEU . . . -35.25 -49.95 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.056 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -53.55 -42.93 68.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 41' ' ' ASN . 20.5 m-20 -77.15 -54.39 6.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.473 HG23 ' CD2' ' A' ' 60' ' ' LEU . 94.2 t -50.07 -53.69 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.168 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.435 ' CD ' HG22 ' A' ' 51' ' ' THR . 2.9 tmm_? -47.6 -46.01 27.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.67 -36.15 61.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.155 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.574 HD12 ' CD2' ' A' ' 26' ' ' PHE . 20.4 mt -64.34 -27.74 69.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 129.03 -31.41 3.49 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.478 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.578 HG23 ' CE2' ' A' ' 22' ' ' TYR . 2.2 mp -64.46 104.08 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.912 0.387 . . . . 0.0 111.152 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.455 ' HA ' ' CD ' ' A' ' 56' ' ' GLN . 43.2 p -119.89 -29.7 4.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 53' ' ' MET . 4.9 mp -49.91 108.11 0.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.403 ' C ' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -37.81 -56.23 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -42.82 -38.51 3.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.53 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 58' ' ' LYS . 11.6 m170 -92.35 -59.31 2.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.748 0.309 . . . . 0.0 110.855 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.455 ' CD ' ' HA ' ' A' ' 51' ' ' THR . 10.5 mt-30 -36.42 -41.24 0.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.2 mmtm -62.06 -44.06 97.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.1 OUTLIER -58.08 -67.04 0.38 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.885 179.88 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 89.5 mt -49.06 -65.68 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.174 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.473 ' CD2' HG23 ' A' ' 45' ' ' VAL . 58.3 mt -51.24 -59.0 4.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -56.29 -26.36 50.42 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.476 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.6 t -79.0 -26.95 43.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.911 0.386 . . . . 0.0 110.927 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 89.3 mt -81.46 -55.39 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.164 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -43.04 -36.23 1.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.46 HG22 ' N ' ' A' ' 66' ' ' MET . 6.3 t -84.05 -30.12 26.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.118 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.475 ' HE3' ' CD1' ' A' ' 34' ' ' LEU . 5.6 mtm . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.876 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.495 ' CD1' ' HG ' ' A' ' 34' ' ' LEU . 4.5 pp . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.914 0.387 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 11' ' ' GLY . 8.8 t -107.04 150.6 26.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.142 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.442 ' CG1' HD11 ' A' ' 14' ' ' LEU . 55.1 t -40.73 -24.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -77.97 -50.37 6.43 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.471 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -49.92 -57.05 8.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.815 0.34 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.571 ' CZ3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -58.56 -64.02 1.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.564 ' HG ' ' CE3' ' A' ' 13' ' ' TRP . 51.5 mt -44.68 -42.57 7.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.938 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -52.3 -38.32 58.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.892 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.7 t -53.12 -44.84 68.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.423 ' O ' ' SD ' ' A' ' 19' ' ' MET . 11.7 pt -93.87 6.96 6.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.453 ' C ' ' SD ' ' A' ' 19' ' ' MET . 16.0 mtp-105 67.42 32.45 5.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.453 ' SD ' ' C ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -110.25 -2.32 16.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.466 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -50.12 -23.75 6.03 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -57.01 -23.0 43.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.817 0.341 . . . . 0.0 110.851 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.537 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 35.0 m-85 -95.22 -11.54 27.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 22' ' ' TYR . 14.0 ttt180 -36.35 -61.64 0.5 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.552 ' OD1' ' CD2' ' A' ' 25' ' ' HIS . 3.3 p30 -38.62 -39.94 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.552 ' CD2' ' OD1' ' A' ' 24' ' ' ASP . 16.5 m-70 -59.12 -59.92 4.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.577 ' CD2' HD12 ' A' ' 48' ' ' LEU . 25.7 m-85 -43.56 -47.72 7.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.72 -33.85 56.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.076 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.99 -39.11 56.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.083 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.04 4.7 22.57 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.488 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.04 19.55 36.07 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.47 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.7 ' CE2' ' CG ' ' A' ' 40' ' ' MET . 86.8 m-85 -121.7 106.2 11.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.856 0.36 . . . . 0.0 110.915 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 97.1 p -114.87 -14.0 11.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.0 m -127.39 171.34 11.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.495 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.4 OUTLIER -77.91 -37.31 48.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.949 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -41.82 -46.15 4.87 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.463 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.17 -40.37 27.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 0.0 110.884 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.571 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 30.6 t -54.23 -44.35 64.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.168 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.432 ' CD2' ' HB3' ' A' ' 66' ' ' MET . 33.5 mt -58.54 -15.65 12.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.7 mtt180 -107.75 19.73 19.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.7 ' CG ' ' CE2' ' A' ' 31' ' ' TYR . 28.1 mtp -100.56 174.11 6.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.469 ' O ' ' N ' ' A' ' 44' ' ' ASP . 69.1 m-80 -161.95 168.38 22.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.459 ' C ' ' O ' ' A' ' 41' ' ' ASN . . . -32.9 -44.59 0.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -56.66 -49.36 75.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 41' ' ' ASN . 64.7 m-20 -73.54 -48.81 30.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.41 ' CB ' HD11 ' A' ' 60' ' ' LEU . 96.7 t -52.41 -56.06 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.473 ' CD ' HG22 ' A' ' 51' ' ' THR . 4.2 tmm_? -46.55 -45.33 18.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.18 -38.06 56.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.133 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.577 HD12 ' CD2' ' A' ' 26' ' ' PHE . 26.5 mt -63.47 -24.76 67.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 121.61 -30.43 5.35 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.516 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.485 HG13 ' CD1' ' A' ' 22' ' ' TYR . 3.3 mp -63.46 100.06 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.91 0.386 . . . . 0.0 111.12 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.478 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 29.0 p -119.97 -20.71 7.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.401 ' O ' ' N ' ' A' ' 55' ' ' HIS . 3.7 mm? -50.01 113.57 0.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -43.29 -43.48 4.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -62.93 -30.53 77.61 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.517 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 56' ' ' GLN . 14.8 m170 -91.83 -63.71 1.21 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.738 0.304 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.478 ' NE2' ' HA ' ' A' ' 51' ' ' THR . 17.1 mt-30 -36.27 -47.17 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -53.72 -48.17 69.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.3 OUTLIER -58.19 -64.91 0.75 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.89 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.477 HD12 ' CG2' ' A' ' 50' ' ' ILE . 80.1 mt -50.54 -61.99 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.165 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.41 HD11 ' CB ' ' A' ' 45' ' ' VAL . 10.7 mp -52.42 -58.49 6.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.27 -29.11 59.71 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.2 t -76.04 -28.3 57.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.359 . . . . 0.0 110.871 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 66' ' ' MET . 91.3 mt -83.41 -54.66 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.147 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -40.75 -39.38 1.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.8 t -81.14 -31.57 34.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 63' ' ' ILE . 11.0 mtm . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.506 ' CD1' ' HG ' ' A' ' 34' ' ' LEU . 4.4 pp . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.915 0.388 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 11' ' ' GLY . 9.6 t -107.95 147.28 31.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.472 ' HB ' ' CD ' ' A' ' 23' ' ' ARG . 42.5 t -38.09 -27.77 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.098 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -74.59 -47.27 16.13 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -52.58 -63.51 1.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.766 0.317 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.57 ' CZ3' HG13 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -51.91 -61.83 2.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.499 ' HG ' ' CE3' ' A' ' 13' ' ' TRP . 48.3 mt -46.56 -48.51 19.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.939 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -50.07 -41.51 48.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.8 t -52.16 -48.85 64.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.9 pt -87.16 17.06 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.162 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 70.2 mtt180 59.74 35.63 22.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.846 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 32.1 mmt -119.62 -1.39 10.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -51.03 -21.09 5.02 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -61.8 -27.5 68.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.8 0.333 . . . . 0.0 110.886 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.576 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 30.6 m-85 -86.69 -10.28 54.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.961 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.472 ' CD ' ' HB ' ' A' ' 10' ' ' VAL . 8.1 tpt180 -39.04 -59.81 0.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.863 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -40.02 -36.55 0.49 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.576 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 13.5 m-70 -62.64 -59.32 5.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.625 ' CG ' ' CD1' ' A' ' 48' ' ' LEU . 26.4 m-85 -46.69 -46.76 20.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.51 -34.51 67.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.116 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.82 -33.69 66.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.087 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.88 -0.96 83.5 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.493 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.26 14.47 41.69 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.426 ' CD1' ' SD ' ' A' ' 40' ' ' MET . 93.0 m-85 -114.73 110.14 19.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.863 0.363 . . . . 0.0 110.948 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.0 t -119.36 -14.23 9.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.836 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.5 m -119.08 167.17 12.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.506 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -78.54 -42.97 27.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.946 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -46.26 -45.62 15.88 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.518 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 20.0 ptp -77.26 -23.84 51.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.358 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.57 HG13 ' CZ3' ' A' ' 13' ' ' TRP . 5.9 t -75.92 -31.23 21.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.085 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.8 mp -66.38 -27.9 68.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.0 ptt180 -91.63 17.14 9.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.453 ' HE2' ' CB ' ' A' ' 44' ' ' ASP . 36.6 mtp -93.56 172.55 8.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' ' 44' ' ' ASP . 37.7 m-80 -154.32 166.28 33.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 41' ' ' ASN . . . -37.16 -38.97 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.066 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -61.49 -46.14 91.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.453 ' CB ' ' HE2' ' A' ' 40' ' ' MET . 2.4 m-20 -72.41 -57.85 3.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.4 ' CG2' ' HE1' ' A' ' 40' ' ' MET . 42.4 t -51.0 -52.37 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.461 ' HD2' ' CG2' ' A' ' 51' ' ' THR . 14.1 tpt180 -48.56 -40.88 28.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.848 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.99 -33.7 72.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.625 ' CD1' ' CG ' ' A' ' 26' ' ' PHE . 39.3 mt -62.21 -22.43 65.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 122.61 -31.0 4.96 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.531 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.46 HG13 ' CD1' ' A' ' 22' ' ' TYR . 2.5 mp -67.13 101.07 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.917 0.389 . . . . 0.0 111.135 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.461 ' CG2' ' HD2' ' A' ' 46' ' ' ARG . 1.6 p -118.15 -28.51 5.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.169 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.7 mp -50.5 113.64 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 27.6 mmt -42.95 -49.91 5.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -48.89 -32.8 11.99 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.54 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.489 ' O ' ' N ' ' A' ' 58' ' ' LYS . 14.5 m170 -97.53 -61.17 1.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.787 0.327 . . . . 0.0 110.872 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.443 ' CD ' ' HA ' ' A' ' 51' ' ' THR . 11.9 mt-30 -36.25 -34.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 55' ' ' HIS . 72.5 mttt -67.34 -45.65 75.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.5 OUTLIER -58.29 -64.78 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.916 179.845 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 84.2 mt -47.75 -69.14 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.5 mt -54.44 -58.99 5.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -49.68 -31.8 16.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.421 ' O ' ' CG2' ' A' ' 65' ' ' THR . 10.4 t -79.73 -29.99 40.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 0.0 110.863 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 66' ' ' MET . 96.2 mt -73.92 -54.47 14.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -41.13 -33.49 0.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.452 HG21 ' N ' ' A' ' 66' ' ' MET . 15.4 t -86.71 -29.3 22.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.495 ' N ' ' O ' ' A' ' 63' ' ' ILE . 26.3 mtm . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.489 ' CD1' ' HG ' ' A' ' 34' ' ' LEU . 4.7 pp . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.975 0.417 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.1 t -103.97 148.09 26.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.442 HG21 ' CG2' ' A' ' 37' ' ' VAL . 24.5 t -41.17 -32.65 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.45 -49.95 35.05 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.535 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -50.22 -62.82 1.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.576 ' CZ3' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -51.33 -62.43 1.62 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.54 ' HG ' ' CE3' ' A' ' 13' ' ' TRP . 47.6 mt -46.41 -45.59 18.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.874 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -47.56 -43.76 25.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.833 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.9 t -50.92 -44.36 60.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.463 HD11 ' CB ' ' A' ' 62' ' ' SER . 29.5 pt -93.95 16.39 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 70.1 mtm180 58.77 34.02 23.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.46 ' CG ' HG13 ' A' ' 17' ' ' ILE . 30.6 mmt -114.01 -1.99 13.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.459 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -48.95 -24.96 4.8 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.422 ' NH1' ' HB3' ' A' ' 21' ' ' ARG . 2.9 ptp180 -58.07 -31.27 66.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.779 0.324 . . . . 0.0 110.853 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.547 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 37.0 m-85 -87.09 -9.98 54.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -45.92 -42.72 13.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.842 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -55.15 -32.34 62.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.547 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 10.5 m-70 -66.65 -56.12 12.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.827 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.565 ' CD1' HD12 ' A' ' 48' ' ' LEU . 27.8 m-85 -45.01 -44.83 10.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.865 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.76 -32.17 63.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.068 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.83 -35.4 60.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.122 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.36 3.45 62.68 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.507 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.33 22.27 27.45 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.501 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.623 ' CE2' ' CG ' ' A' ' 40' ' ' MET . 95.8 m-85 -121.09 103.78 9.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.871 0.367 . . . . 0.0 110.865 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.8 t -109.74 -12.86 14.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.8 m -131.47 172.94 11.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.489 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -77.6 -36.54 51.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -40.93 -40.1 2.17 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.463 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.504 ' HB2' ' CD2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -87.64 -29.91 20.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.78 0.324 . . . . 0.0 110.886 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.576 HG12 ' CZ3' ' A' ' 13' ' ' TRP . 53.8 t -66.17 -36.57 77.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.459 HD21 ' N ' ' A' ' 38' ' ' LEU . 4.5 mm? -64.19 -24.01 67.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -102.11 20.04 17.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.623 ' CG ' ' CE2' ' A' ' 31' ' ' TYR . 63.8 mtp -98.93 174.02 6.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.88 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 42' ' ' ALA . 70.4 m-80 -157.99 167.28 30.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.431 ' N ' HD13 ' A' ' 60' ' ' LEU . . . -37.46 -37.39 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.093 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -59.9 -49.59 77.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.417 ' CB ' ' HE2' ' A' ' 40' ' ' MET . 18.0 m-20 -72.86 -49.41 30.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.471 ' CG2' HD21 ' A' ' 60' ' ' LEU . 57.9 t -55.46 -54.12 28.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.477 ' NE ' HG23 ' A' ' 51' ' ' THR . 14.0 tpt180 -48.35 -39.05 20.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.46 -35.08 78.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.565 HD12 ' CD1' ' A' ' 26' ' ' PHE . 69.6 mt -60.43 -25.33 65.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 125.8 -29.32 4.71 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.505 ' O ' ' CG ' ' A' ' 56' ' ' GLN . 2.4 mp -65.75 101.1 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.901 0.381 . . . . 0.0 111.128 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.477 HG23 ' NE ' ' A' ' 46' ' ' ARG . 23.3 p -115.93 -26.97 7.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.167 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.5 mt -50.1 110.73 0.42 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 10.9 mmt -41.15 -48.67 3.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.498 ' O ' ' CD ' ' A' ' 58' ' ' LYS . . . -49.81 -38.57 30.38 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.509 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.498 ' O ' ' N ' ' A' ' 57' ' ' LYS . 10.6 m170 -91.24 -59.64 2.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.763 0.316 . . . . 0.0 110.868 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.505 ' CG ' ' O ' ' A' ' 50' ' ' ILE . 12.0 mt-30 -37.82 -27.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 55' ' ' HIS . 27.5 mttp -77.02 -45.25 27.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.498 ' CD ' ' O ' ' A' ' 54' ' ' GLY . 0.5 OUTLIER -60.15 -61.78 2.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.896 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.3 mt -47.0 -62.61 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.119 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.471 HD21 ' CG2' ' A' ' 45' ' ' VAL . 4.6 mm? -57.66 -58.18 9.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.939 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.38 -26.97 31.65 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.497 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.463 ' CB ' HD11 ' A' ' 17' ' ' ILE . 22.9 t -80.9 -25.21 37.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.803 0.335 . . . . 0.0 110.853 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 85.2 mt -83.82 -50.59 15.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -47.62 -37.47 12.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.9 t -79.99 -31.48 39.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.17 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.464 ' HE1' ' CD1' ' A' ' 34' ' ' LEU . 18.3 mtm . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.485 ' CD1' ' HG ' ' A' ' 34' ' ' LEU . 4.4 pp . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.968 0.413 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 11' ' ' GLY . 10.1 t -107.79 148.01 30.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.201 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.447 HG11 ' CG ' ' A' ' 26' ' ' PHE . 70.6 t -37.33 -27.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.095 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -73.68 -53.87 7.03 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.517 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -46.53 -62.7 1.25 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.784 0.326 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.592 ' CZ3' HG13 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -52.85 -63.19 1.23 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.944 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.582 ' HG ' ' CE3' ' A' ' 13' ' ' TRP . 53.2 mt -46.27 -34.95 4.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -59.27 -36.05 74.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.0 m -58.22 -41.64 84.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.4 pt -92.36 16.62 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 55.66 35.01 24.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.812 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 43.5 mmm -119.41 1.61 11.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.12 -18.23 2.03 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.494 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -60.53 -27.33 67.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.845 0.355 . . . . 0.0 110.874 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.571 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 37.6 m-85 -91.41 -9.09 46.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.429 ' CG ' ' N ' ' A' ' 24' ' ' ASP . 21.6 ptt-85 -44.91 -44.94 10.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.821 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.429 ' N ' ' CG ' ' A' ' 23' ' ' ARG . 57.4 m-20 -54.51 -32.74 58.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.571 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 10.8 m-70 -65.5 -51.65 58.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.574 ' CD1' HD13 ' A' ' 48' ' ' LEU . 20.9 m-85 -46.96 -47.2 21.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.9 -28.18 61.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.081 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.99 -35.01 32.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.06 6.36 56.53 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.515 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.06 16.26 51.38 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.504 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.595 ' CD2' ' SD ' ' A' ' 40' ' ' MET . 78.9 m-85 -121.92 100.76 7.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.939 0.4 . . . . 0.0 110.911 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.2 t -114.9 9.68 16.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.898 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.4 m -146.13 168.2 21.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.805 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.485 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -77.69 -45.21 25.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.951 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -42.88 -30.95 1.07 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.479 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 7.5 ptp -95.02 -20.5 19.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.329 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.592 HG13 ' CZ3' ' A' ' 13' ' ' TRP . 38.0 t -77.07 -36.46 24.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.134 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.02 -20.5 62.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.5 ptt85 -105.13 16.17 26.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.595 ' SD ' ' CD2' ' A' ' 31' ' ' TYR . 26.3 mtp -94.77 166.36 12.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -154.66 173.55 16.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.462 ' N ' HD21 ' A' ' 60' ' ' LEU . . . -40.46 -45.09 2.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.081 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -51.86 -51.73 54.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -72.34 -52.96 13.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 87.8 t -47.98 -55.52 2.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -42.96 -46.28 5.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.15 -35.7 65.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.124 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.574 HD13 ' CD1' ' A' ' 26' ' ' PHE . 21.3 mt -58.89 -29.07 66.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 122.27 -22.67 7.43 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.559 HG13 ' CD1' ' A' ' 22' ' ' TYR . 2.5 mp -72.67 103.21 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.952 0.406 . . . . 0.0 111.115 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.468 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 58.2 p -118.3 -22.14 7.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.137 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 53' ' ' MET . 4.6 mm? -50.06 108.39 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.443 ' C ' ' O ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -34.71 -48.77 0.39 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.477 ' O ' ' CD ' ' A' ' 58' ' ' LYS . . . -57.05 -51.79 55.23 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.516 ' CD2' ' N ' ' A' ' 55' ' ' HIS . 3.2 m170 -70.21 -57.87 4.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.769 0.318 . . . . 0.0 110.85 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.471 ' CG ' ' O ' ' A' ' 50' ' ' ILE . 13.2 mt-30 -42.43 -37.63 1.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.972 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -67.38 -41.96 84.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.477 ' CD ' ' O ' ' A' ' 54' ' ' GLY . 0.0 OUTLIER -59.52 -60.36 3.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.843 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 68.9 mt -55.46 -62.72 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.462 HD21 ' N ' ' A' ' 42' ' ' ALA . 30.4 mt -54.95 -59.92 4.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.928 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -48.97 -35.7 18.74 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.473 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.476 ' O ' ' CG2' ' A' ' 65' ' ' THR . 9.7 t -70.16 -39.02 75.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.36 . . . . 0.0 110.882 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 88.2 mt -72.03 -57.75 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -39.9 -31.57 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.476 ' CG2' ' O ' ' A' ' 62' ' ' SER . 7.8 t -90.67 -41.06 11.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.473 ' HE2' ' NE1' ' A' ' 13' ' ' TRP . 12.4 mtm . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.502 ' CD1' ' HG ' ' A' ' 34' ' ' LEU . 4.5 pp . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.939 0.399 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 11' ' ' GLY . 13.5 t -105.07 148.76 26.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.121 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.431 ' CG1' HD11 ' A' ' 14' ' ' LEU . 54.2 t -40.98 -23.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -78.18 -47.75 8.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.445 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -52.72 -57.58 9.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.781 0.324 . . . . 0.0 110.839 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.569 ' CH2' HD22 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -57.12 -61.95 2.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.962 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.569 HD22 ' CH2' ' A' ' 13' ' ' TRP . 51.0 mt -47.1 -47.53 23.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -49.51 -42.83 44.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.0 t -51.6 -42.34 61.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.3 pt -94.71 13.87 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.126 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 62.41 36.22 14.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.41 ' C ' ' HB3' ' A' ' 14' ' ' LEU . 31.2 mmt -119.84 -3.81 10.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.481 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -49.09 -26.19 5.99 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.48 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -56.15 -30.21 61.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.791 0.329 . . . . 0.0 110.863 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.576 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 39.6 m-85 -85.14 -11.75 54.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.1 ttt180 -38.9 -59.47 0.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -40.26 -37.0 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.576 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 14.5 m-70 -61.92 -60.06 4.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.556 ' CD2' HD13 ' A' ' 48' ' ' LEU . 30.8 m-85 -45.69 -45.13 14.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.1 -31.59 52.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.116 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.26 -41.36 41.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.078 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.2 0.64 15.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.531 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.12 17.83 36.02 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.472 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.632 ' CE1' ' CG ' ' A' ' 40' ' ' MET . 79.9 m-85 -119.18 111.12 17.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.893 0.378 . . . . 0.0 110.923 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 87.7 p -120.04 -9.86 9.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.4 p -123.94 171.27 9.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.502 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -81.63 -41.98 20.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -46.87 -46.04 19.2 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.516 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 12.9 ptp -77.5 -22.87 50.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.549 HG13 ' CZ3' ' A' ' 13' ' ' TRP . 4.8 t -76.69 -34.09 22.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.2 mp -62.13 -25.63 67.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.4 mmm180 -88.0 -16.41 33.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.632 ' CG ' ' CE1' ' A' ' 31' ' ' TYR . 59.5 mtp -63.44 177.76 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.458 ' CG ' ' O ' ' A' ' 40' ' ' MET . 76.1 m-20 -164.31 167.99 19.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -38.14 -45.85 0.98 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -54.19 -43.82 71.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 41' ' ' ASN . 74.5 m-20 -78.02 -52.8 8.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.473 ' CB ' HD22 ' A' ' 60' ' ' LEU . 54.2 t -50.25 -52.93 13.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.105 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -44.72 -45.94 10.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.21 -36.57 63.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.096 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.556 HD13 ' CD2' ' A' ' 26' ' ' PHE . 23.1 mt -58.59 -28.04 65.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 123.45 -25.17 6.34 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.499 ' O ' ' CG ' ' A' ' 56' ' ' GLN . 2.4 mp -70.73 100.82 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.922 0.391 . . . . 0.0 111.13 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.442 ' HA ' ' CD ' ' A' ' 56' ' ' GLN . 48.4 p -117.28 -26.29 6.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.4 mt -51.26 112.67 0.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -42.08 -47.95 4.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -50.84 -34.87 30.46 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.494 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.421 ' O ' ' N ' ' A' ' 58' ' ' LYS . 24.6 m170 -94.82 -61.29 1.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.77 0.319 . . . . 0.0 110.851 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.499 ' CG ' ' O ' ' A' ' 50' ' ' ILE . 11.6 mt-30 -37.09 -39.36 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.414 ' HB3' ' NZ ' ' A' ' 58' ' ' LYS . 27.3 mttm -62.89 -48.59 78.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.767 ' HZ2' ' N ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -56.9 -65.27 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.894 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 84.2 mt -46.95 -68.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.473 HD22 ' CB ' ' A' ' 45' ' ' VAL . 4.6 mm? -52.46 -58.37 6.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.891 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -50.21 -31.1 18.86 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.441 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.425 ' O ' ' CG2' ' A' ' 65' ' ' THR . 49.3 m -77.35 -32.36 55.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.863 0.363 . . . . 0.0 110.886 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.2 mt -73.73 -54.5 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.139 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -42.2 -33.2 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.456 HG22 ' N ' ' A' ' 66' ' ' MET . 8.8 t -87.56 -36.66 17.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.507 ' HE2' ' CD2' ' A' ' 13' ' ' TRP . 24.3 mtm . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.491 ' CD1' HD23 ' A' ' 34' ' ' LEU . 4.2 pp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.922 0.391 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.53 ' O ' ' N ' ' A' ' 11' ' ' GLY . 5.0 t -106.53 147.09 29.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.165 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.426 ' CG1' HD12 ' A' ' 14' ' ' LEU . 76.4 t -35.04 -29.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.125 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.53 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -71.81 -46.8 35.9 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.523 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 9' ' ' THR . 1.5 t70 -53.6 -65.29 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.775 0.321 . . . . 0.0 110.869 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.578 ' CE3' ' HG ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -49.58 -58.88 4.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.578 ' HG ' ' CE3' ' A' ' 13' ' ' TRP . 51.4 mt -49.79 -45.26 49.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -50.79 -41.74 57.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.823 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.7 t -51.13 -44.79 61.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.2 pt -93.47 15.27 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.152 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 59.86 36.65 21.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.564 ' HE2' ' CD2' ' A' ' 55' ' ' HIS . 31.5 mmt -118.46 -0.91 11.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.419 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -49.72 -23.96 5.46 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.524 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -57.21 -28.79 63.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.34 . . . . 0.0 110.884 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.572 ' CD1' HG13 ' A' ' 50' ' ' ILE . 35.9 m-85 -90.32 -9.32 48.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.478 ' CG ' ' N ' ' A' ' 24' ' ' ASP . 11.2 ptm180 -42.77 -48.73 5.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.478 ' N ' ' CG ' ' A' ' 23' ' ' ARG . 1.2 t70 -51.49 -35.14 38.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.571 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 12.4 m-70 -62.31 -57.77 10.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.576 ' CG ' ' CD1' ' A' ' 48' ' ' LEU . 25.7 m-85 -45.18 -47.38 12.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.889 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.41 -34.87 69.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.061 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.2 -34.38 72.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.31 6.82 66.41 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.447 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.77 18.01 42.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.447 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.593 ' CE1' ' SD ' ' A' ' 40' ' ' MET . 84.4 m-85 -122.55 107.44 12.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.902 0.382 . . . . 0.0 110.901 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.0 t -119.82 -12.61 9.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.806 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.2 m -116.56 167.9 10.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.491 HD23 ' CD1' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -79.38 -42.5 25.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.885 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -48.36 -43.49 26.99 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.475 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.1 ptp -79.44 -26.14 41.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.843 0.354 . . . . 0.0 110.905 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.56 HG13 ' CZ3' ' A' ' 13' ' ' TRP . 3.4 t -70.98 -35.4 59.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.5 mp -59.68 -21.06 60.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.831 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.23 -17.56 28.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.593 ' SD ' ' CE1' ' A' ' 31' ' ' TYR . 13.0 mmm -56.34 176.29 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.462 ' O ' ' C ' ' A' ' 42' ' ' ALA . 0.8 OUTLIER -170.24 158.97 7.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.462 ' C ' ' O ' ' A' ' 41' ' ' ASN . . . -32.29 -48.65 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.073 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -56.08 -49.43 73.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.848 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 41' ' ' ASN . 54.4 m-20 -73.33 -56.5 4.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.464 HG21 ' CE ' ' A' ' 40' ' ' MET . 58.4 t -43.32 -53.09 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.465 ' CD ' HG22 ' A' ' 51' ' ' THR . 3.8 tmm_? -44.15 -46.19 8.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.47 -38.17 66.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.062 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.576 ' CD1' ' CG ' ' A' ' 26' ' ' PHE . 39.8 mt -58.59 -26.22 63.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 123.13 -26.79 6.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.477 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.572 HG13 ' CD1' ' A' ' 22' ' ' TYR . 2.9 mp -70.33 101.22 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.87 0.367 . . . . 0.0 111.094 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.48 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 36.4 p -119.07 -27.28 5.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.4 mt -50.68 116.29 1.87 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.462 ' HA ' ' CE ' ' A' ' 53' ' ' MET . 26.6 mmt -43.9 -48.38 8.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -52.82 -30.55 36.61 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.494 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.564 ' CD2' ' HE2' ' A' ' 19' ' ' MET . 23.1 m170 -96.87 -63.24 1.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.721 0.296 . . . . 0.0 110.871 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.48 ' NE2' ' HA ' ' A' ' 51' ' ' THR . 14.5 mt-30 -36.78 -46.21 0.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.933 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -59.7 -42.9 94.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.1 OUTLIER -65.28 -60.61 2.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.916 179.852 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 65.8 mt -51.09 -51.1 22.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.108 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.456 ' N ' HD12 ' A' ' 60' ' ' LEU . 11.0 mp -64.23 -57.36 9.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -54.92 -30.62 54.0 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.3 t -73.77 -29.0 61.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.352 . . . . 0.0 110.813 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' A' ' 66' ' ' MET . 58.2 mt -81.13 -48.92 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.122 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.421 ' HG3' ' N ' ' A' ' 65' ' ' THR . 1.0 OUTLIER -45.05 -30.97 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.474 HG23 ' N ' ' A' ' 66' ' ' MET . 14.9 t -89.47 -27.0 20.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.518 ' HE3' ' CD2' ' A' ' 13' ' ' TRP . 28.1 mtm . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.503 ' CD1' HD21 ' A' ' 34' ' ' LEU . 4.5 pp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.899 0.381 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 11' ' ' GLY . 8.8 t -106.32 147.75 28.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.136 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 49.9 t -38.22 -27.13 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -74.09 -48.38 15.65 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.503 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.95 -63.92 0.98 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.837 0.351 . . . . 0.0 110.857 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.609 ' CD1' ' SD ' ' A' ' 66' ' ' MET . 0.0 OUTLIER -51.22 -61.72 2.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.572 ' HG ' ' CE3' ' A' ' 13' ' ' TRP . 44.2 mt -46.53 -47.42 19.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -51.4 -38.81 55.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.1 t -52.99 -44.98 67.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.44 HG13 ' CG ' ' A' ' 19' ' ' MET . 28.5 pt -91.98 15.13 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.14 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 63.94 31.12 13.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.44 ' CG ' HG13 ' A' ' 17' ' ' ILE . 33.5 mmt -116.32 0.38 12.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.63 -14.33 2.43 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.462 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -68.06 -27.03 66.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.807 0.337 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.565 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 36.7 m-85 -90.65 -8.18 50.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.482 ' CG ' ' N ' ' A' ' 24' ' ' ASP . 6.3 ptp180 -43.03 -48.55 6.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.482 ' N ' ' CG ' ' A' ' 23' ' ' ARG . 0.9 OUTLIER -51.87 -34.23 39.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.565 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 12.2 m-70 -63.77 -53.84 44.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.619 ' CG ' ' CD1' ' A' ' 48' ' ' LEU . 30.8 m-85 -48.12 -49.57 31.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.59 -26.8 45.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.09 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.9 -33.61 34.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.149 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -83.51 11.52 55.54 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.22 14.93 58.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.519 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.67 ' CE2' ' CG ' ' A' ' 40' ' ' MET . 67.4 m-85 -122.31 100.16 6.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.849 0.357 . . . . 0.0 110.923 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.4 t -112.14 -12.38 13.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.848 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.6 m -122.27 172.38 8.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.853 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.503 HD21 ' CD1' ' A' ' 8' ' ' LEU . 0.4 OUTLIER -79.13 -41.62 28.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.911 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -44.77 -43.9 8.35 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.507 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.9 ptp -81.67 -14.8 56.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.839 0.352 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.562 HG12 ' CZ3' ' A' ' 13' ' ' TRP . 24.8 t -83.71 -35.97 11.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.465 ' CD2' ' O ' ' A' ' 34' ' ' LEU . 3.4 mm? -65.84 -17.87 64.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.18 3.87 33.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.67 ' CG ' ' CE2' ' A' ' 31' ' ' TYR . 45.2 mtp -78.37 -178.75 5.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.48 ' O ' ' N ' ' A' ' 44' ' ' ASP . 0.4 OUTLIER -166.75 163.52 16.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 41' ' ' ASN . . . -35.53 -46.15 0.39 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.057 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.6 tp60 -54.41 -43.98 71.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 41' ' ' ASN . 75.7 m-20 -77.74 -51.25 10.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.3 t -51.83 -54.28 13.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.473 ' CD ' HG22 ' A' ' 51' ' ' THR . 4.9 tmm_? -46.18 -43.75 15.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.68 -32.7 63.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.619 ' CD1' ' CG ' ' A' ' 26' ' ' PHE . 24.5 mt -64.8 -24.51 67.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 121.08 -28.37 6.11 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.51 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.447 HG13 ' CD1' ' A' ' 22' ' ' TYR . 2.4 mp -67.6 100.14 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.888 0.375 . . . . 0.0 111.099 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.473 HG22 ' CD ' ' A' ' 46' ' ' ARG . 82.5 p -118.91 -23.94 6.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.158 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 55' ' ' HIS . 2.5 mt -49.97 108.18 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 38.4 mmt -40.22 -46.83 2.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -53.92 -36.6 56.07 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.529 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.487 ' O ' ' N ' ' A' ' 58' ' ' LYS . 19.7 m170 -92.28 -59.07 2.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.725 0.298 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.47 ' NE2' ' HA ' ' A' ' 51' ' ' THR . 10.5 mt-30 -35.92 -41.61 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 61' ' ' GLY . 43.3 mttt -58.86 -44.9 91.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.5 OUTLIER -58.84 -64.03 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.955 179.834 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.9 mt -52.04 -65.24 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.143 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.1 mt -55.47 -56.52 19.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 57' ' ' LYS . . . -47.69 -46.12 24.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.45 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' A' ' 66' ' ' MET . 3.2 t -63.51 -49.58 72.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.818 0.342 . . . . 0.0 110.847 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.534 ' O ' ' N ' ' A' ' 66' ' ' MET . 96.6 mt -58.12 -60.08 2.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.132 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.483 ' HG3' ' N ' ' A' ' 65' ' ' THR . 0.6 OUTLIER -32.32 -37.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.483 ' N ' ' HG3' ' A' ' 64' ' ' GLN . 9.8 t -98.58 -30.08 12.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.609 ' SD ' ' CD1' ' A' ' 13' ' ' TRP . 2.2 ttp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.486 ' CD1' ' HG ' ' A' ' 34' ' ' LEU . 4.4 pp . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.941 0.4 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 11' ' ' GLY . 9.8 t -106.95 146.58 30.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.179 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.448 ' CG1' HD11 ' A' ' 14' ' ' LEU . 69.2 t -35.91 -30.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.111 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -70.48 -52.19 17.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -47.91 -65.29 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.815 0.341 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.573 ' CZ3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -51.5 -59.9 3.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.561 ' HG ' ' CE3' ' A' ' 13' ' ' TRP . 41.7 mt -49.51 -35.28 19.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -59.75 -39.71 85.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.1 t -55.29 -42.35 73.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.4 pt -89.58 14.62 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.115 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.5 mmt85 57.65 30.12 18.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.471 ' CE ' ' HB3' ' A' ' 55' ' ' HIS . 26.4 mmm -115.04 4.02 14.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -51.34 -17.79 3.02 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.457 ' CZ ' ' HB2' ' A' ' 21' ' ' ARG . 2.4 ptm85 -62.48 -25.09 67.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.822 0.344 . . . . 0.0 110.863 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.583 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 29.1 m-85 -93.63 -10.15 35.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.481 ' CG ' ' N ' ' A' ' 24' ' ' ASP . 19.7 ptt-85 -42.53 -48.62 5.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.838 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.481 ' N ' ' CG ' ' A' ' 23' ' ' ARG . 8.2 p-10 -52.84 -34.5 54.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.583 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 11.6 m-70 -62.16 -56.38 19.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.653 ' CD1' ' CD1' ' A' ' 48' ' ' LEU . 16.0 m-85 -44.9 -47.11 11.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.825 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.13 -32.57 62.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.47 -36.29 60.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.59 7.02 51.11 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.517 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.47 20.34 38.28 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.521 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.576 ' CZ ' ' SD ' ' A' ' 40' ' ' MET . 86.2 m-85 -122.48 100.07 6.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.906 0.384 . . . . 0.0 110.868 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.0 m -115.45 8.47 15.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.1 m -146.12 168.41 21.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.854 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.486 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -78.18 -45.36 23.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -43.4 -31.41 1.54 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.429 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.413 ' O ' ' CG ' ' A' ' 39' ' ' ARG . 6.9 ptp -95.11 -24.2 16.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.843 0.354 . . . . 0.0 110.852 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.573 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 40.1 t -71.73 -40.34 69.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.154 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.481 HD21 ' N ' ' A' ' 38' ' ' LEU . 2.4 mm? -53.38 -24.82 13.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.413 ' CG ' ' O ' ' A' ' 36' ' ' MET . 3.7 ptp180 -96.23 19.94 11.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.576 ' SD ' ' CZ ' ' A' ' 31' ' ' TYR . 21.8 mmm -86.63 169.56 12.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' A' ' 40' ' ' MET . 39.8 m-80 -162.45 162.5 27.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.437 ' N ' HD21 ' A' ' 60' ' ' LEU . . . -36.46 -42.65 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -59.83 -51.46 69.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -69.52 -55.0 11.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.459 HG21 ' CD2' ' A' ' 60' ' ' LEU . 97.5 t -48.72 -56.0 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.1 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.47 ' NE ' HG23 ' A' ' 51' ' ' THR . 22.5 tpt85 -48.42 -45.2 35.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.85 -36.17 62.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.065 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.653 ' CD1' ' CD1' ' A' ' 26' ' ' PHE . 24.4 mt -61.21 -22.32 64.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.953 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 122.42 -30.64 5.11 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.462 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.579 HG13 ' CD1' ' A' ' 22' ' ' TYR . 2.2 mp -63.99 102.25 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.925 0.393 . . . . 0.0 111.114 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.47 HG23 ' NE ' ' A' ' 46' ' ' ARG . 1.0 OUTLIER -117.57 -25.96 6.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 55' ' ' HIS . 3.4 mm? -50.04 109.86 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 31.8 mmt -40.12 -51.73 2.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -52.24 -34.34 40.27 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.524 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.517 ' O ' ' N ' ' A' ' 58' ' ' LYS . 5.7 m170 -90.96 -61.81 1.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.76 0.314 . . . . 0.0 110.847 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.503 ' CG ' ' O ' ' A' ' 50' ' ' ILE . 16.4 mt-30 -36.46 -33.68 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 55' ' ' HIS . 7.8 mtpm? -69.26 -43.97 72.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.517 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -56.97 -63.62 1.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.893 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 61.7 mt -52.83 -62.8 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.101 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.459 ' CD2' HG21 ' A' ' 45' ' ' VAL . 51.9 mt -53.01 -60.49 3.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.45 -30.43 41.33 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.6 t -73.54 -30.22 62.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.814 0.34 . . . . 0.0 110.844 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 79.5 mt -81.4 -54.58 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.131 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -42.11 -42.06 2.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.7 t -78.8 -32.56 46.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 8.2 mtm . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.916 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.52 ' CD2' ' HG ' ' A' ' 34' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.957 0.408 . . . . 0.0 110.907 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.8 t -93.6 150.69 20.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 70.4 t -43.88 -38.04 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.074 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.47 ' N ' ' HG3' ' A' ' 23' ' ' ARG . . . -65.77 -42.74 95.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.493 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.34 -59.42 5.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.814 0.34 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.601 ' CD1' ' SD ' ' A' ' 66' ' ' MET . 0.1 OUTLIER -54.73 -52.66 61.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.599 ' HG ' ' CE3' ' A' ' 13' ' ' TRP . 32.9 mt -55.28 -52.88 62.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -44.71 -43.19 8.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.8 t -51.28 -46.15 62.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.825 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.433 HG13 ' CG ' ' A' ' 19' ' ' MET . 42.0 pt -90.44 14.9 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.078 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 62.9 34.66 14.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.433 ' CG ' HG13 ' A' ' 17' ' ' ILE . 30.3 mmt -119.96 -0.22 10.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.441 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -52.6 -17.34 4.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.9 ptp180 -66.28 -21.02 66.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.778 0.323 . . . . 0.0 110.871 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.584 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 44.1 m-85 -92.64 -12.64 31.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.47 ' HG3' ' N ' ' A' ' 11' ' ' GLY . 16.3 ttt-85 -34.52 -61.7 0.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -41.45 -40.71 1.85 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.584 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 16.2 m-70 -57.46 -60.96 2.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.571 ' CD2' HD12 ' A' ' 48' ' ' LEU . 29.5 m-85 -44.95 -50.1 10.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.29 -31.5 61.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.077 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.78 -35.9 57.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.099 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.21 5.46 59.45 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.491 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.62 20.07 35.71 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.467 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.643 ' CE2' ' CG ' ' A' ' 40' ' ' MET . 24.8 m-85 -122.02 106.49 11.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.906 0.384 . . . . 0.0 110.912 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 83.5 p -115.91 -11.32 11.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.852 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.44 173.47 10.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.52 ' HG ' ' CD2' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -74.34 -43.05 58.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -42.59 -50.85 5.71 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.518 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -31.06 64.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.836 0.35 . . . . 0.0 110.848 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.408 HG11 ' CH2' ' A' ' 13' ' ' TRP . 12.6 t -72.3 -26.1 24.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.491 ' N ' HD12 ' A' ' 38' ' ' LEU . 4.8 mp -74.81 -24.27 58.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.422 ' NH1' ' HB3' ' A' ' 39' ' ' ARG . 1.8 ptp180 -96.99 18.08 15.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.897 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.643 ' CG ' ' CE2' ' A' ' 31' ' ' TYR . 67.3 mtp -95.74 -179.79 4.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.495 ' O ' ' N ' ' A' ' 43' ' ' GLN . 0.6 OUTLIER -168.22 164.05 13.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 41' ' ' ASN . . . -32.91 -34.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 41' ' ' ASN . 77.1 mm-40 -64.29 -53.58 46.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 41' ' ' ASN . 47.8 m-20 -69.31 -58.61 3.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.4 t -45.04 -53.12 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -47.21 -38.69 12.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.9 -35.76 81.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.571 HD12 ' CD2' ' A' ' 26' ' ' PHE . 37.6 mt -58.71 -24.58 61.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 121.36 -24.05 7.41 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.497 ' O ' ' CG ' ' A' ' 56' ' ' GLN . 2.0 mp -74.11 100.37 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.922 0.391 . . . . 0.0 111.157 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.443 ' HA ' ' CD ' ' A' ' 56' ' ' GLN . 1.1 p -116.23 -24.39 8.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 mp -50.65 109.9 0.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.437 ' O ' ' CG ' ' A' ' 57' ' ' LYS . 10.4 mmm -41.94 -45.04 3.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.11 -35.65 54.95 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.501 ' O ' ' N ' ' A' ' 58' ' ' LYS . 25.5 m170 -94.26 -59.54 1.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.777 0.323 . . . . 0.0 110.861 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.497 ' CG ' ' O ' ' A' ' 50' ' ' ILE . 11.1 mt-30 -36.33 -34.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 53' ' ' MET . 10.3 mmmt -67.84 -44.95 76.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.2 OUTLIER -58.91 -61.17 2.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 179.801 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.429 HD11 ' CG2' ' A' ' 50' ' ' ILE . 67.3 mt -51.3 -63.29 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.6 mt -55.12 -59.27 5.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -47.83 -40.35 18.81 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.446 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.9 m -71.71 -33.02 68.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.853 0.359 . . . . 0.0 110.838 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.489 ' O ' ' N ' ' A' ' 66' ' ' MET . 81.7 mt -72.62 -54.3 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.149 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.473 ' HG3' ' N ' ' A' ' 65' ' ' THR . 1.7 pp0? -42.24 -34.52 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.915 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.473 ' N ' ' HG3' ' A' ' 64' ' ' GLN . 13.9 t -87.2 -25.66 23.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.113 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.601 ' SD ' ' CD1' ' A' ' 13' ' ' TRP . 12.4 mtp . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.495 ' CD1' ' HG ' ' A' ' 34' ' ' LEU . 4.5 pp . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.933 0.396 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 11' ' ' GLY . 13.6 t -105.04 148.51 26.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.439 ' CG1' HD13 ' A' ' 14' ' ' LEU . 75.6 t -40.4 -24.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.109 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -77.3 -48.4 8.24 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.546 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -52.12 -57.66 8.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.8 0.333 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.595 ' CE3' ' HG ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -57.82 -61.14 2.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.595 ' HG ' ' CE3' ' A' ' 13' ' ' TRP . 39.4 mt -46.89 -44.88 20.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -49.3 -44.87 44.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.0 t -51.33 -45.6 62.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.46 HG13 ' CG ' ' A' ' 19' ' ' MET . 34.6 pt -89.54 12.55 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.9 mmp_? 59.99 36.69 21.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.46 ' CG ' HG13 ' A' ' 17' ' ' ILE . 31.3 mmt -118.94 -1.81 10.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.844 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.458 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -50.91 -19.55 3.58 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -61.42 -26.66 68.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.35 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.574 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 29.2 m-85 -90.43 -10.53 43.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 22' ' ' TYR . 7.8 ttt-85 -36.41 -60.09 0.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -42.14 -39.35 1.97 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.574 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 15.1 m-70 -58.72 -60.87 3.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.568 ' CD1' HD12 ' A' ' 48' ' ' LEU . 21.5 m-85 -46.08 -48.13 17.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.99 -34.6 60.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.1 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.33 -39.34 65.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.09 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.53 2.1 40.6 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.471 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.26 19.08 31.48 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.468 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.536 ' CD1' ' SD ' ' A' ' 40' ' ' MET . 72.2 m-85 -122.4 102.05 7.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.877 0.37 . . . . 0.0 110.908 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.424 ' C ' HG23 ' A' ' 10' ' ' VAL . 12.0 t -113.8 -11.6 12.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.9 m -120.33 167.32 12.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.495 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -76.92 -45.26 28.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.94 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -44.18 -46.36 8.14 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 6.7 ptp -75.75 -29.89 59.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.815 0.34 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.59 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 11.1 t -69.34 -30.71 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.4 mp -67.87 -23.01 65.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.4 ptp85 -96.29 15.24 21.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.536 ' SD ' ' CD1' ' A' ' 31' ' ' TYR . 58.0 mtp -97.61 164.86 12.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.872 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 42' ' ' ALA . 1.7 m-80 -149.58 167.56 26.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 41' ' ' ASN . . . -36.04 -47.19 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.102 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -50.7 -48.55 58.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -73.57 -56.06 5.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.51 ' CG2' ' CD2' ' A' ' 60' ' ' LEU . 70.3 t -46.68 -54.68 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.425 ' CD ' HG23 ' A' ' 51' ' ' THR . 4.3 tmm_? -43.09 -46.48 5.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.62 -34.33 64.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.568 HD12 ' CD1' ' A' ' 26' ' ' PHE . 48.5 mt -60.52 -25.78 66.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 122.2 -27.85 5.99 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.47 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.558 HG13 ' CD1' ' A' ' 22' ' ' TYR . 2.0 mp -70.82 104.65 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.865 0.365 . . . . 0.0 111.123 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.464 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 81.2 p -119.97 -17.31 8.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.532 ' O ' ' C ' ' A' ' 53' ' ' MET . 5.3 mp -50.06 99.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.532 ' C ' ' O ' ' A' ' 52' ' ' LEU . 19.8 mmt -27.54 -54.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.427 ' O ' ' HG2' ' A' ' 58' ' ' LYS . . . -51.44 -62.86 5.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.47 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.49 ' O ' ' N ' ' A' ' 58' ' ' LYS . 44.9 m170 -61.09 -52.94 62.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.761 0.315 . . . . 0.0 110.839 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.464 ' NE2' ' HA ' ' A' ' 51' ' ' THR . 7.9 mt-30 -43.56 -30.64 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -79.52 -31.32 42.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -67.09 -55.43 14.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 179.844 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.402 ' CG2' HD11 ' A' ' 63' ' ' ILE . 88.6 mt -58.42 -61.32 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.087 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.51 ' CD2' ' CG2' ' A' ' 45' ' ' VAL . 4.0 mm? -58.92 -60.67 3.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -41.5 -37.91 1.95 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.448 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.437 ' O ' ' SD ' ' A' ' 66' ' ' MET . 68.3 m -78.93 -28.24 43.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.86 0.362 . . . . 0.0 110.849 -179.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.466 ' N ' ' O ' ' A' ' 60' ' ' LEU . 68.5 mt -74.64 -50.25 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.186 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.409 ' HG2' ' N ' ' A' ' 65' ' ' THR . 3.2 pt20 -49.37 -41.63 39.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.409 ' N ' ' HG2' ' A' ' 64' ' ' GLN . 3.8 t -82.73 -36.44 25.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.493 ' SD ' ' NE1' ' A' ' 13' ' ' TRP . 9.4 mtp . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.496 ' CD1' ' HG ' ' A' ' 34' ' ' LEU . 4.4 pp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.909 0.385 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.522 ' O ' ' N ' ' A' ' 11' ' ' GLY . 8.8 t -110.79 148.51 32.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.161 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.471 ' CG1' HD11 ' A' ' 14' ' ' LEU . 55.0 t -36.02 -28.24 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.16 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -74.17 -49.28 12.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.494 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.428 ' CB ' ' HB2' ' A' ' 8' ' ' LEU . 4.1 t0 -49.87 -65.16 0.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 110.879 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.493 ' CE3' ' HG ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -50.72 -62.14 1.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.947 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.493 ' HG ' ' CE3' ' A' ' 13' ' ' TRP . 54.2 mt -47.55 -39.69 17.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -53.48 -39.69 64.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.4 m -56.87 -37.23 71.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.832 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.406 ' CG1' ' HG2' ' A' ' 19' ' ' MET . 15.5 pt -97.13 14.37 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.124 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? 54.86 28.85 10.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.406 ' HG2' ' CG1' ' A' ' 17' ' ' ILE . 23.1 mmm -110.61 5.18 20.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -51.63 -18.6 4.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.523 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.426 ' NH1' ' HB2' ' A' ' 21' ' ' ARG . 0.5 OUTLIER -62.02 -20.41 63.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 110.843 -179.883 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.577 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 41.5 m-85 -94.67 -11.01 30.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.987 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.8 ttt180 -41.52 -55.0 3.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.84 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -44.59 -34.87 2.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.577 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 12.9 m-70 -64.08 -60.8 2.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.589 ' CD2' HD13 ' A' ' 48' ' ' LEU . 33.2 m-85 -45.57 -43.43 12.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.86 -30.82 66.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.082 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.01 -40.71 53.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.93 1.8 29.46 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.454 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.74 22.57 20.68 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.612 ' CE1' ' SD ' ' A' ' 40' ' ' MET . 94.6 m-85 -119.76 105.51 11.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.91 0.386 . . . . 0.0 110.916 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.6 t -112.43 -11.38 13.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.846 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 67.2 m -132.99 172.25 12.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.837 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.496 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -76.88 -34.79 57.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -44.62 -47.34 8.98 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.423 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.7 -33.48 40.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.842 0.353 . . . . 0.0 110.869 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.471 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 27.3 t -56.47 -34.14 40.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.458 ' CD2' ' O ' ' A' ' 34' ' ' LEU . 2.1 mm? -76.66 -0.53 23.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.959 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -103.58 -18.58 14.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.612 ' SD ' ' CE1' ' A' ' 31' ' ' TYR . 0.4 OUTLIER -93.9 174.5 7.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.915 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.461 ' O ' ' C ' ' A' ' 42' ' ' ALA . 55.8 t30 -160.69 -179.98 8.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.488 ' N ' HD13 ' A' ' 60' ' ' LEU . . . -33.01 -39.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.081 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 41' ' ' ASN . 41.8 mt-30 -58.33 -54.08 51.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 41' ' ' ASN . 54.1 m-20 -74.77 -45.14 45.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.469 HG22 ' CD1' ' A' ' 60' ' ' LEU . 59.3 t -50.28 -54.36 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.081 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -42.75 -42.24 3.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.95 -34.87 75.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.061 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.589 HD13 ' CD2' ' A' ' 26' ' ' PHE . 73.6 mt -58.53 -29.75 66.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 122.66 -17.54 8.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.51 HG13 ' CD1' ' A' ' 22' ' ' TYR . 2.8 mp -79.61 102.97 6.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.859 0.361 . . . . 0.0 111.16 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.479 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 72.9 p -119.91 -21.85 6.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 55' ' ' HIS . 2.7 mp -49.97 103.64 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.455 ' C ' ' O ' ' A' ' 52' ' ' LEU . 30.0 mmt -33.52 -53.48 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -51.05 -42.79 48.88 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.474 ' N ' ' O ' ' A' ' 52' ' ' LEU . 12.9 m170 -81.79 -60.5 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.775 0.321 . . . . 0.0 110.846 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.479 ' NE2' ' HA ' ' A' ' 51' ' ' THR . 12.8 mt-30 -36.56 -34.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -68.88 -47.28 66.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.469 ' N ' ' HD2' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -56.32 -63.14 1.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 179.875 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 91.0 mt -49.62 -70.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.123 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.488 HD13 ' N ' ' A' ' 42' ' ' ALA . 3.6 mm? -52.84 -60.2 3.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -40.32 -36.65 0.98 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.526 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.5 m -78.07 -36.72 47.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 0.0 110.845 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.421 ' N ' ' O ' ' A' ' 60' ' ' LEU . 67.0 mt -65.65 -51.95 56.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.157 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -49.76 -39.54 38.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.471 HG22 ' N ' ' A' ' 66' ' ' MET . 10.4 t -82.67 -24.5 33.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.471 ' N ' HG22 ' A' ' 65' ' ' THR . 18.0 mtm . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.4 t -89.82 -49.63 6.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.36 . . . . 0.0 110.853 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.0 t -68.2 -58.16 4.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.25 119.44 0.56 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.503 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t -93.72 136.82 33.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.861 0.362 . . . . 0.0 110.924 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.0 p -107.3 146.14 31.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.97 -44.81 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.491 ' CD1' ' HG ' ' A' ' 34' ' ' LEU . 4.5 pp -109.64 -179.51 3.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.908 0.385 . . . . 0.0 110.922 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 11' ' ' GLY . 9.6 t -105.28 148.92 26.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 74.6 t -39.97 -25.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.094 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -76.71 -52.46 5.9 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.451 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -47.93 -58.08 4.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.853 0.358 . . . . 0.0 110.854 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.575 ' CE3' ' HG ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.96 -63.44 1.21 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.575 ' HG ' ' CE3' ' A' ' 13' ' ' TRP . 37.8 mt -44.84 -41.27 6.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -53.63 -39.97 65.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.9 m -51.85 -41.19 61.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.438 HG13 ' CG ' ' A' ' 19' ' ' MET . 25.7 pt -98.14 12.7 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.8 mtt85 60.7 38.42 18.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.438 ' CG ' HG13 ' A' ' 17' ' ' ILE . 31.8 mmt -118.72 -1.73 11.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.459 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -50.27 -20.47 3.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.516 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -58.75 -25.53 63.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.35 . . . . 0.0 110.855 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.504 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 38.6 m-85 -90.99 -11.6 38.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 22' ' ' TYR . 11.9 ttt-85 -34.68 -63.22 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.495 ' OD1' ' CD2' ' A' ' 25' ' ' HIS . 2.9 p30 -37.21 -41.68 0.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.834 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.504 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 19.1 m-70 -57.04 -57.86 10.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.579 ' CG ' ' CD1' ' A' ' 48' ' ' LEU . 25.7 m-85 -45.29 -49.84 12.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.28 -31.75 45.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.26 -36.69 46.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.49 5.07 38.85 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.466 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.81 20.12 34.98 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.474 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.703 ' CE2' ' CG ' ' A' ' 40' ' ' MET . 85.1 m-85 -122.01 107.23 11.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 110.904 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.6 t -112.96 -11.46 13.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.5 m -133.31 175.44 9.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.86 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.491 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -80.9 -36.7 30.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -40.82 -35.65 0.96 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.77 -34.65 13.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.567 HG12 ' CZ3' ' A' ' 13' ' ' TRP . 51.6 t -59.47 -35.24 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.435 ' CD1' ' HB3' ' A' ' 66' ' ' MET . 4.1 mm? -66.24 -24.32 66.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -102.01 19.91 17.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.703 ' CG ' ' CE2' ' A' ' 31' ' ' TYR . 36.6 mtp -95.56 174.34 7.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.463 ' O ' ' N ' ' A' ' 44' ' ' ASP . 0.6 OUTLIER -161.14 169.51 22.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.459 ' N ' HD23 ' A' ' 60' ' ' LEU . . . -36.78 -45.56 0.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.087 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -54.9 -43.16 72.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 41' ' ' ASN . 5.1 m-20 -77.92 -51.21 10.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 87.8 t -52.6 -54.39 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -47.17 -43.82 21.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.03 -36.7 70.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.579 ' CD1' ' CG ' ' A' ' 26' ' ' PHE . 18.5 mt -60.55 -22.9 64.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.959 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 119.51 -27.37 6.94 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.426 ' O ' ' CG ' ' A' ' 56' ' ' GLN . 2.5 mp -69.63 102.71 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.926 0.393 . . . . 0.0 111.072 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.456 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 52.2 p -118.01 -27.5 6.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.137 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.2 mp -50.09 112.49 0.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.437 ' HA ' ' CE ' ' A' ' 53' ' ' MET . 11.8 mmm -43.13 -44.51 5.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -53.09 -34.66 47.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.484 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.495 ' O ' ' N ' ' A' ' 58' ' ' LYS . 13.0 m170 -96.92 -58.54 2.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.763 0.316 . . . . 0.0 110.833 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.456 ' NE2' ' HA ' ' A' ' 51' ' ' THR . 10.4 mt-30 -36.68 -40.86 0.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -62.74 -43.42 98.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.1 OUTLIER -59.17 -64.81 0.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.903 179.89 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 72.0 mt -49.25 -64.4 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.459 HD23 ' N ' ' A' ' 42' ' ' ALA . 16.9 mt -52.3 -57.87 8.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -56.08 -28.9 54.84 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.6 t -77.13 -27.92 54.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.847 0.356 . . . . 0.0 110.858 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 84.3 mt -84.48 -48.29 16.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -49.54 -29.45 6.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.892 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.455 HG23 ' N ' ' A' ' 66' ' ' MET . 15.3 t -90.04 -30.0 18.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.54 ' HE3' ' CD1' ' A' ' 13' ' ' TRP . 11.7 mtm -66.55 -33.09 74.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -92.12 -31.7 15.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.97 -30.18 45.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.113 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.452 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 11.7 pt20 -75.44 -41.15 56.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.452 ' N ' ' HG3' ' A' ' 69' ' ' GLN . 28.0 mt -44.26 -37.27 3.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.0 t -153.74 100.57 2.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.113 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 27.1 p -67.72 176.13 2.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 85.2 m -159.43 112.11 2.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 61.39 45.62 8.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 148.34 -178.56 25.84 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.454 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.1 t -88.84 159.85 17.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.917 0.389 . . . . 0.0 110.886 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -134.13 -67.67 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.475 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.1 -26.2 25.21 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.763 2.309 . . . . 0.0 112.305 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.9 p -55.1 124.7 17.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 97.3 p -97.8 100.68 12.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.466 -179.998 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.4 t -98.34 -53.66 3.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.869 0.366 . . . . 0.0 110.88 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.4 t -65.6 -48.62 71.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.74 163.22 15.95 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.508 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.4 m -104.85 140.56 37.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 110.848 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -76.23 145.7 39.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.08 -76.75 0.19 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.48 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.49 ' CD1' ' HG ' ' A' ' 34' ' ' LEU . 4.4 pp -108.29 179.94 4.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.944 0.402 . . . . 0.0 110.866 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 11' ' ' GLY . 12.6 t -105.73 148.63 27.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.157 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.442 ' CG1' HD11 ' A' ' 14' ' ' LEU . 92.3 t -39.29 -25.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.157 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -76.42 -49.14 8.45 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.485 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.16 -57.51 8.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.818 0.342 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.599 ' CD1' ' SD ' ' A' ' 66' ' ' MET . 0.1 OUTLIER -58.45 -63.06 1.41 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.584 ' HG ' ' CE3' ' A' ' 13' ' ' TRP . 47.0 mt -44.82 -46.57 10.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.96 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -48.66 -44.56 37.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.1 t -51.98 -44.0 63.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.831 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.424 HG13 ' CG ' ' A' ' 19' ' ' MET . 40.2 pt -90.47 13.73 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.11 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 61.64 33.67 18.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.424 ' CG ' HG13 ' A' ' 17' ' ' ILE . 28.4 mmt -119.48 -1.21 10.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.453 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -52.82 -21.48 9.92 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.446 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -63.14 -22.1 66.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.812 0.339 . . . . 0.0 110.876 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.531 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 36.4 m-85 -92.29 -10.09 39.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.929 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -38.27 -59.38 0.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -40.19 -38.13 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.828 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.531 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 16.1 m-70 -60.55 -59.95 4.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.579 ' CD2' HD11 ' A' ' 48' ' ' LEU . 34.2 m-85 -45.3 -47.14 13.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.864 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.77 -30.56 57.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.095 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.95 -36.8 56.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -77.96 6.44 48.74 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.481 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.18 14.6 57.27 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.518 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.548 ' CG ' ' SD ' ' A' ' 40' ' ' MET . 72.1 m-85 -119.99 103.4 9.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.928 0.394 . . . . 0.0 110.926 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.43 ' C ' HG22 ' A' ' 10' ' ' VAL . 72.3 p -119.69 1.77 11.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.839 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.7 m -132.8 167.46 20.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.49 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -79.89 -41.43 26.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -49.55 -35.73 22.86 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.491 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 7.6 ptp -88.88 -32.37 17.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.555 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 3.6 t -63.53 -36.53 76.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.3 mt -61.06 -15.28 30.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -98.1 -6.22 32.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.548 ' SD ' ' CG ' ' A' ' 31' ' ' TYR . 48.4 mtp -76.06 172.19 13.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 42' ' ' ALA . 66.9 m-80 -161.89 168.14 23.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 41' ' ' ASN . . . -33.66 -45.89 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.061 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -55.65 -53.61 54.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.97 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -69.69 -54.31 14.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.418 HG23 ' CD2' ' A' ' 60' ' ' LEU . 79.9 t -47.5 -54.21 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.417 ' CD ' ' C ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -47.31 -44.95 23.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.916 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.71 -32.87 65.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.579 HD11 ' CD2' ' A' ' 26' ' ' PHE . 51.9 mt -63.63 -23.65 67.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 121.25 -28.2 6.12 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.519 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.494 ' O ' ' CG ' ' A' ' 56' ' ' GLN . 2.9 mp -68.04 102.53 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.909 0.385 . . . . 0.0 111.15 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.468 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 59.5 p -119.65 -23.26 6.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.133 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 53' ' ' MET . 3.8 mm? -50.25 113.61 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.877 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.497 ' O ' ' CG ' ' A' ' 57' ' ' LYS . 0.1 OUTLIER -35.85 -52.99 0.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.92 -48.22 68.16 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.464 ' CD2' ' N ' ' A' ' 55' ' ' HIS . 7.2 m170 -70.24 -60.77 2.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.774 0.321 . . . . 0.0 110.846 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.494 ' CG ' ' O ' ' A' ' 50' ' ' ILE . 17.5 mt-30 -46.4 -40.85 12.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.497 ' CG ' ' O ' ' A' ' 53' ' ' MET . 22.5 mmtt -62.48 -48.59 78.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.427 ' N ' ' HD2' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -58.62 -59.52 5.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.878 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 63.5 mt -54.1 -65.29 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.436 HD23 ' N ' ' A' ' 42' ' ' ALA . 59.2 mt -52.52 -59.62 4.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -54.26 -29.28 45.28 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.408 ' O ' ' SD ' ' A' ' 66' ' ' MET . 37.9 m -80.05 -27.36 39.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.815 0.341 . . . . 0.0 110.85 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 94.1 mt -81.02 -49.38 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.47 ' HA ' ' CZ ' ' A' ' 67' ' ' ARG . 0.3 OUTLIER -49.88 -37.67 32.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.958 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.465 ' N ' ' HG3' ' A' ' 64' ' ' GLN . 10.0 t -84.19 -30.97 25.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.165 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.599 ' SD ' ' CD1' ' A' ' 13' ' ' TRP . 10.4 mtp -66.48 -29.7 69.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.845 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.47 ' CZ ' ' HA ' ' A' ' 64' ' ' GLN . 3.9 ptt-85 -94.64 -34.6 12.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.04 -36.21 78.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.081 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.465 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 7.7 pt20 -59.53 -39.34 83.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.465 ' N ' ' HG3' ' A' ' 69' ' ' GLN . 10.6 mt -58.3 -58.21 9.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 67.3 p -51.3 -46.79 62.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.175 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 91.1 p -114.71 102.79 10.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.2 t -144.37 151.24 39.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.146 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 75' ' ' GLY . 1.9 mp0 -74.24 167.19 22.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 74' ' ' GLN . . . -37.73 119.38 0.71 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.525 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.7 t -92.02 171.89 8.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.895 0.379 . . . . 0.0 110.877 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -154.02 -66.55 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.452 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.06 155.4 8.85 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.757 2.304 . . . . 0.0 112.274 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 92.1 p -154.61 179.6 8.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 41.7 p -90.72 142.08 28.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.461 179.98 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 3' ' ' SER . 89.0 p -78.22 114.43 17.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.935 0.398 . . . . 0.0 110.834 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 2' ' ' SER . 27.9 t -36.51 -57.09 0.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.865 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.11 148.47 16.97 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.491 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -107.21 115.75 30.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.888 0.375 . . . . 0.0 110.821 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.7 m -73.99 109.34 7.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.37 -57.16 0.6 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.507 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.494 ' CD1' ' HG ' ' A' ' 34' ' ' LEU . 4.3 pp -112.03 179.41 4.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.406 ' O ' HD12 ' A' ' 8' ' ' LEU . 9.6 t -104.97 147.05 28.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.424 HG13 ' CD1' ' A' ' 14' ' ' LEU . 63.8 t -37.45 -33.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -68.39 -54.7 15.01 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.492 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -45.73 -62.21 1.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.762 0.315 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.578 ' CE3' ' HG ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -52.1 -62.49 1.6 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.578 ' HG ' ' CE3' ' A' ' 13' ' ' TRP . 52.1 mt -47.49 -36.21 9.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -56.82 -37.78 71.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.6 t -57.03 -40.71 77.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.465 HD12 ' CG ' ' A' ' 19' ' ' MET . 17.0 pt -94.9 18.71 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.185 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 45.0 mtm180 54.02 35.24 21.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.465 ' CG ' HD12 ' A' ' 17' ' ' ILE . 39.5 mmm -119.63 2.88 11.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -51.21 -17.67 2.75 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.505 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -62.8 -25.41 68.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.777 0.322 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.58 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 39.5 m-85 -91.66 -8.54 46.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -45.99 -42.57 13.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.873 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -57.35 -31.55 65.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.58 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 10.3 m-70 -66.65 -54.9 18.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.613 ' CD1' ' CD1' ' A' ' 48' ' ' LEU . 21.0 m-85 -46.76 -45.87 20.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.51 -29.27 61.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.078 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.57 -34.8 40.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.108 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.15 8.85 50.23 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.9 15.05 58.5 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.544 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.602 ' CD2' ' SD ' ' A' ' 40' ' ' MET . 75.1 m-85 -121.25 105.46 10.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.935 0.398 . . . . 0.0 110.889 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.2 t -117.69 -12.66 10.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.882 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.0 m -120.63 169.97 9.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.494 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -80.99 -42.24 21.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.874 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -47.1 -30.76 5.53 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.478 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 8.0 ptp -94.39 -23.18 17.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.798 0.332 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.506 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 12.7 t -72.05 -32.11 42.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.149 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.471 HD13 ' N ' ' A' ' 67' ' ' ARG . 4.3 mm? -66.1 -21.66 66.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -98.0 19.79 13.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.602 ' SD ' ' CD2' ' A' ' 31' ' ' TYR . 23.1 mtp -103.5 162.79 12.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -148.07 -179.6 7.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -42.46 -44.5 4.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -57.46 -47.82 80.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.447 ' CB ' ' HE2' ' A' ' 40' ' ' MET . 26.4 m-20 -70.22 -58.16 4.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.8 t -50.17 -54.06 9.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -49.84 -41.02 44.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.29 -37.68 75.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.079 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.613 ' CD1' ' CD1' ' A' ' 26' ' ' PHE . 38.5 mt -58.7 -25.84 63.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 124.33 -23.6 6.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.482 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.467 HG13 ' CD1' ' A' ' 22' ' ' TYR . 2.9 mp -72.5 103.63 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.895 0.379 . . . . 0.0 111.09 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.478 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 1.5 p -118.37 -28.57 5.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.117 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 53' ' ' MET . 2.3 mt -50.87 109.63 0.34 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.424 ' C ' ' O ' ' A' ' 52' ' ' LEU . 37.2 mmt -36.57 -56.6 0.81 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -42.77 -40.18 3.88 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.494 ' O ' ' N ' ' A' ' 58' ' ' LYS . 21.4 m170 -89.58 -58.62 2.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.74 0.305 . . . . 0.0 110.843 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.478 ' NE2' ' HA ' ' A' ' 51' ' ' THR . 11.2 mt-30 -39.66 -41.04 1.0 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -65.45 -37.62 87.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.2 OUTLIER -64.85 -62.05 1.8 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.915 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 77.6 mt -52.19 -58.1 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.127 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.6 mt -59.7 -58.27 9.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -54.67 -28.22 45.32 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.456 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.3 t -76.63 -25.63 54.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.897 0.379 . . . . 0.0 110.889 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 82.3 mt -86.04 -49.77 14.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.182 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -46.52 -30.37 2.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.941 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.415 HG21 ' N ' ' A' ' 66' ' ' MET . 8.8 t -88.63 -30.75 18.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.463 ' HE2' ' CD1' ' A' ' 34' ' ' LEU . 15.4 mtm -65.77 -36.35 83.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.471 ' N ' HD13 ' A' ' 38' ' ' LEU . 2.0 ptt180 -87.55 -36.41 17.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.14 -33.66 67.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.076 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -80.1 -21.32 43.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 12.9 mt -73.2 -14.83 61.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 56.1 p -112.89 19.16 17.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.16 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.01 161.27 8.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.2 t -83.74 -39.16 20.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.137 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 51.1 tp60 -163.55 139.46 6.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 110.58 69.55 0.6 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 54.3 m -143.13 162.18 36.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.919 0.39 . . . . 0.0 110.873 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.49 69.64 1.3 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.468 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.07 -46.53 31.94 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.788 2.325 . . . . 0.0 112.287 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 35.8 t -138.38 108.41 6.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 75.8 p -103.28 127.29 50.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.865 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.51 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m -147.28 154.55 41.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.876 0.369 . . . . 0.0 110.875 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t 69.24 42.17 1.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.876 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.41 -162.95 48.16 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.447 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.4 p -63.99 146.3 54.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.902 0.382 . . . . 0.0 110.864 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 t -50.68 -49.35 57.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.44 -40.53 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.449 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.495 ' CD1' ' HG ' ' A' ' 34' ' ' LEU . 4.3 pp -119.59 -178.71 3.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.91 0.386 . . . . 0.0 110.927 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.533 ' O ' ' N ' ' A' ' 11' ' ' GLY . 9.7 t -106.22 148.1 28.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.471 ' CG1' HD11 ' A' ' 14' ' ' LEU . 68.0 t -35.39 -29.15 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.133 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -72.07 -51.61 13.74 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.442 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.426 ' CB ' ' HB2' ' A' ' 8' ' ' LEU . 5.4 t0 -48.07 -64.86 0.68 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.848 0.356 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.576 ' CH2' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -50.87 -63.64 1.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.571 HD22 ' CH2' ' A' ' 13' ' ' TRP . 47.6 mt -44.77 -42.12 7.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -52.85 -39.72 62.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.7 t -52.06 -44.49 64.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.411 HG13 ' CG ' ' A' ' 19' ' ' MET . 34.2 pt -94.04 14.28 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.12 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 48.4 mtp180 60.29 37.15 20.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.411 ' CG ' HG13 ' A' ' 17' ' ' ILE . 32.0 mmt -118.67 -1.82 11.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.431 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -51.14 -20.71 4.93 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.487 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -60.44 -25.18 65.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 0.0 110.865 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.542 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 33.9 m-85 -90.55 -9.91 45.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 22' ' ' TYR . 24.2 ttt180 -37.94 -60.64 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -39.2 -38.11 0.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.826 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.542 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 15.4 m-70 -61.12 -58.41 8.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.62 ' CG ' ' CD1' ' A' ' 48' ' ' LEU . 23.7 m-85 -46.02 -47.0 16.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.65 -29.66 59.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.121 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.43 -34.96 41.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.48 8.18 49.26 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.23 16.67 57.12 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.517 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.592 ' CD1' ' SD ' ' A' ' 40' ' ' MET . 80.1 m-85 -121.51 101.69 7.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.848 0.356 . . . . 0.0 110.914 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.419 ' C ' HG21 ' A' ' 10' ' ' VAL . 60.2 p -114.57 -9.68 12.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.4 m -123.35 168.5 12.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.823 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.495 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -78.2 -43.29 28.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.874 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -46.11 -45.2 14.98 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 7.6 ptp -78.55 -20.86 49.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.576 HG12 ' CH2' ' A' ' 13' ' ' TRP . 10.8 t -75.96 -37.24 33.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.474 ' CD1' ' CD1' ' A' ' 70' ' ' LEU . 41.3 mt -61.9 -19.27 62.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -101.49 19.9 17.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.592 ' SD ' ' CD1' ' A' ' 31' ' ' TYR . 37.7 mtp -99.49 166.43 11.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.477 ' O ' ' N ' ' A' ' 44' ' ' ASP . 2.2 m-80 -151.25 168.24 25.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 41' ' ' ASN . . . -34.33 -48.12 0.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -53.68 -45.7 70.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 41' ' ' ASN . 66.3 m-20 -72.19 -59.7 2.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.456 HG22 ' CD2' ' A' ' 60' ' ' LEU . 86.1 t -48.15 -53.85 5.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.84 -44.16 28.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.86 -35.31 68.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.075 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.62 ' CD1' ' CG ' ' A' ' 26' ' ' PHE . 22.7 mt -60.49 -25.47 66.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 124.03 -27.2 5.68 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.492 ' O ' ' CG ' ' A' ' 56' ' ' GLN . 2.9 mp -70.16 103.25 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.9 0.381 . . . . 0.0 111.153 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.466 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 44.4 p -117.91 -28.2 5.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.9 mp -50.05 115.38 1.39 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.934 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 35.6 mmt -43.8 -48.74 8.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -52.14 -31.09 32.96 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.476 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.468 ' O ' ' N ' ' A' ' 58' ' ' LYS . 14.0 m170 -97.0 -62.49 1.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.752 0.31 . . . . 0.0 110.86 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.492 ' CG ' ' O ' ' A' ' 50' ' ' ILE . 12.9 mt-30 -36.73 -47.35 0.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -57.52 -43.24 84.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -60.38 -64.52 0.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.906 179.832 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 74.0 mt -50.99 -63.45 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.456 ' CD2' HG22 ' A' ' 45' ' ' VAL . 15.5 mt -55.94 -59.91 4.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -51.84 -32.48 33.62 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.545 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.418 ' O ' ' HB2' ' A' ' 66' ' ' MET . 24.6 t -71.93 -34.23 68.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.849 0.357 . . . . 0.0 110.867 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' A' ' 66' ' ' MET . 62.2 mt -79.04 -54.77 11.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -38.9 -34.06 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.481 HG22 ' N ' ' A' ' 66' ' ' MET . 15.0 t -94.24 -27.15 16.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.491 ' N ' ' O ' ' A' ' 63' ' ' ILE . 4.1 ttm -62.08 -33.75 75.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -83.81 -37.87 21.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.829 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -38.83 -50.15 1.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.432 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 14.8 pt20 -59.88 -36.06 76.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.474 ' CD1' ' CD1' ' A' ' 38' ' ' LEU . 15.4 mt -72.59 -51.14 20.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 68.2 p -48.8 -47.59 41.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.3 t -71.57 170.08 14.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.2 t -61.58 -40.71 95.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.159 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -54.64 154.63 4.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -136.35 -38.61 0.16 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.502 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 97.1 p 51.16 43.07 29.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.864 0.364 . . . . 0.0 110.881 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -162.1 156.33 27.87 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.05 144.55 36.79 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.751 2.301 . . . . 0.0 112.339 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.4 t -70.91 103.14 2.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 94.1 p -98.46 104.24 16.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.854 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.474 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.5 t -137.32 125.49 23.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.898 0.38 . . . . 0.0 110.891 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.0 m -81.6 -46.31 14.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.01 49.44 0.48 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.457 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 t -117.89 134.29 55.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.815 0.34 . . . . 0.0 110.862 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 t -81.35 107.86 14.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.83 62.16 0.29 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.529 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.494 ' CD1' ' HG ' ' A' ' 34' ' ' LEU . 4.4 pp -119.11 -178.89 3.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.932 0.396 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 11' ' ' GLY . 12.8 t -106.16 147.45 29.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.426 HG22 ' C ' ' A' ' 32' ' ' SER . 78.8 t -38.72 -25.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -75.85 -51.64 6.92 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -49.2 -58.46 4.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.803 0.335 . . . . 0.0 110.847 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.569 ' CE3' ' HG ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.06 -63.56 1.14 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.569 ' HG ' ' CE3' ' A' ' 13' ' ' TRP . 39.1 mt -44.97 -42.84 8.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.939 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -51.01 -42.57 60.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.4 t -52.64 -41.22 63.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.449 ' CD1' ' HG3' ' A' ' 19' ' ' MET . 24.8 pt -96.39 18.45 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.135 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 47.1 mtt85 55.85 33.56 21.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.449 ' HG3' ' CD1' ' A' ' 17' ' ' ILE . 34.3 mmt -115.09 -2.17 12.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.461 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -50.51 -25.81 9.23 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -57.81 -25.97 61.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.851 0.358 . . . . 0.0 110.857 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.532 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 32.9 m-85 -88.74 -10.51 48.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -39.14 -57.8 1.26 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -41.51 -37.61 1.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.532 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 15.5 m-70 -61.05 -60.0 4.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.57 ' CD2' HD13 ' A' ' 48' ' ' LEU . 31.3 m-85 -44.62 -45.99 9.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.25 -32.65 56.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.28 -39.09 60.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.87 3.36 36.58 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.5 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.53 16.76 51.75 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.467 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.544 ' CG ' ' SD ' ' A' ' 40' ' ' MET . 85.3 m-85 -118.94 107.96 14.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.898 0.38 . . . . 0.0 110.946 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.426 ' C ' HG22 ' A' ' 10' ' ' VAL . 5.2 t -119.96 -10.39 9.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.85 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.8 m -122.23 169.04 11.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.494 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -81.67 -41.26 21.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.884 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -48.84 -30.07 8.73 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.431 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.3 ptp -94.38 -26.02 16.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.339 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.47 HG13 ' CZ3' ' A' ' 13' ' ' TRP . 5.7 t -69.04 -42.17 81.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -56.46 -22.35 31.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.7 mmt85 -87.96 -18.05 29.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.544 ' SD ' ' CG ' ' A' ' 31' ' ' TYR . 39.5 mtp -65.21 179.27 0.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.507 ' O ' ' N ' ' A' ' 44' ' ' ASP . 0.9 OUTLIER -169.09 164.46 11.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.462 ' CA ' HD21 ' A' ' 60' ' ' LEU . . . -32.81 -37.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.075 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 41' ' ' ASN . 9.1 tm0? -63.09 -48.89 76.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 41' ' ' ASN . 66.1 m-20 -77.3 -44.36 29.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.459 ' CG1' HD11 ' A' ' 60' ' ' LEU . 42.8 t -53.48 -55.38 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.453 ' CD ' HG22 ' A' ' 51' ' ' THR . 4.5 tmm_? -47.52 -45.09 26.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.87 -34.77 60.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.074 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.57 HD13 ' CD2' ' A' ' 26' ' ' PHE . 36.4 mt -63.89 -25.31 68.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 123.49 -30.24 4.99 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.511 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.441 HG22 ' CD1' ' A' ' 59' ' ' ILE . 2.3 mp -66.25 101.66 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.873 0.368 . . . . 0.0 111.151 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.462 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 74.4 p -119.98 -18.72 8.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.464 ' O ' ' C ' ' A' ' 53' ' ' MET . 3.6 mm? -50.33 107.38 0.16 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.464 ' C ' ' O ' ' A' ' 52' ' ' LEU . 0.3 OUTLIER -32.36 -55.23 0.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.904 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -53.79 -49.11 59.56 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -68.93 -59.36 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.735 0.303 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.462 ' NE2' ' HA ' ' A' ' 51' ' ' THR . 19.5 mt-30 -45.37 -32.09 1.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.936 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -70.42 -34.16 72.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' A' ' 58' ' ' LYS . 5.9 mmtt -73.52 -56.4 5.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.441 ' CD1' HG22 ' A' ' 50' ' ' ILE . 63.4 mt -55.08 -60.17 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.126 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.462 HD21 ' CA ' ' A' ' 42' ' ' ALA . 9.6 mp -62.05 -52.12 65.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -55.71 -35.37 62.44 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.45 ' O ' ' CG2' ' A' ' 65' ' ' THR . 10.0 t -75.62 -36.85 60.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.883 0.373 . . . . 0.0 110.855 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.428 HD13 ' CH2' ' A' ' 13' ' ' TRP . 89.8 mt -69.92 -53.49 23.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.155 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.46 ' HG3' ' N ' ' A' ' 65' ' ' THR . 1.0 OUTLIER -48.29 -32.53 7.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.46 ' N ' ' HG3' ' A' ' 64' ' ' GLN . 9.5 t -87.64 -38.33 15.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.47 ' HE1' ' NE1' ' A' ' 13' ' ' TRP . 18.6 mtm -55.47 -33.99 64.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -92.61 -35.18 13.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -47.59 -32.26 5.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.081 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.437 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 7.7 pt20 -61.27 -38.74 87.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.437 ' N ' ' HG3' ' A' ' 69' ' ' GLN . 6.9 mp -57.76 -47.21 83.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 79.7 p -75.41 -56.12 5.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.4 t -108.35 121.01 44.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.82 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.9 p -70.31 131.44 44.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.192 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 43.0 tp60 -80.25 -53.31 6.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 53.03 51.52 45.59 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.518 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.7 t -115.99 -38.47 3.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.914 0.388 . . . . 0.0 110.875 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 179.48 95.53 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.16 146.79 29.6 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.723 2.282 . . . . 0.0 112.302 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.7 t 69.97 -170.03 0.17 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.4 t -109.64 112.49 24.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.457 179.97 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.8 p -80.69 115.03 19.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.905 0.383 . . . . 0.0 110.897 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.5 p -65.89 -45.11 83.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.85 -112.33 0.68 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.0 p -91.48 132.47 36.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.919 0.39 . . . . 0.0 110.809 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 t -91.91 123.82 35.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.07 72.1 0.18 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.495 ' CD1' ' HG ' ' A' ' 34' ' ' LEU . 4.3 pp -112.29 -179.65 3.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.908 0.385 . . . . 0.0 110.944 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 11' ' ' GLY . 9.9 t -105.59 145.92 30.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.183 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.418 HG23 ' C ' ' A' ' 32' ' ' SER . 69.8 t -36.86 -28.32 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.075 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -72.73 -48.03 23.88 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.452 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 9' ' ' THR . 0.6 OUTLIER -53.03 -63.78 1.04 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.801 0.334 . . . . 0.0 110.866 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.593 ' CE3' ' HG ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -50.57 -60.11 3.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.968 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.593 ' HG ' ' CE3' ' A' ' 13' ' ' TRP . 40.5 mt -48.11 -49.21 32.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -49.15 -37.47 22.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.8 t -53.92 -46.73 71.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.436 HG13 ' CG ' ' A' ' 19' ' ' MET . 46.9 pt -91.9 16.95 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.153 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.3 mtm-85 63.23 31.57 15.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.571 ' HE1' ' CD2' ' A' ' 55' ' ' HIS . 32.6 mmt -115.63 -0.27 13.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.408 ' HA2' ' CB ' ' A' ' 14' ' ' LEU . . . -52.57 -14.4 2.41 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.485 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -69.09 -25.88 64.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.839 0.352 . . . . 0.0 110.879 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.563 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 43.1 m-85 -92.86 -6.94 47.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.49 ' CG ' ' N ' ' A' ' 24' ' ' ASP . 4.6 ptm180 -43.38 -50.45 6.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.49 ' N ' ' CG ' ' A' ' 23' ' ' ARG . 6.0 t0 -50.27 -35.25 26.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.563 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 13.4 m-70 -62.45 -56.74 15.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.586 ' CG ' ' CD1' ' A' ' 48' ' ' LEU . 24.6 m-85 -46.48 -48.97 18.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.95 -35.29 66.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.088 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.59 -33.14 64.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.074 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.63 5.42 64.8 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.467 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.35 14.12 49.15 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.539 ' CD1' ' SD ' ' A' ' 40' ' ' MET . 68.1 m-85 -122.29 100.37 6.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.914 0.388 . . . . 0.0 110.924 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.418 ' C ' HG23 ' A' ' 10' ' ' VAL . 42.1 m -110.58 -9.48 14.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.896 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.5 m -123.33 169.16 11.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.855 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.495 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -78.04 -44.85 25.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -44.95 -45.82 9.3 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.511 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 6.7 ptp -76.82 -22.55 53.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.496 HG12 ' CZ3' ' A' ' 13' ' ' TRP . 11.3 t -77.67 -29.16 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.127 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.466 ' HA ' ' CG2' ' A' ' 63' ' ' ILE . 5.9 mp -68.8 -23.02 64.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -97.43 15.56 22.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.539 ' SD ' ' CD1' ' A' ' 31' ' ' TYR . 54.2 mtp -94.53 173.04 7.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.498 ' O ' ' N ' ' A' ' 44' ' ' ASP . 57.3 m-80 -155.35 166.58 33.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 41' ' ' ASN . . . -34.06 -48.55 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.07 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -53.94 -44.71 70.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.498 ' N ' ' O ' ' A' ' 41' ' ' ASN . 0.5 OUTLIER -72.64 -60.74 2.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 77.0 t -47.94 -53.01 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.421 ' CD ' HG22 ' A' ' 51' ' ' THR . 0.0 OUTLIER -47.83 -44.89 29.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.17 -32.55 64.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.094 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.586 ' CD1' ' CG ' ' A' ' 26' ' ' PHE . 59.3 mt -63.17 -23.2 67.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 121.03 -23.69 7.65 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.499 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.551 HG13 ' CD1' ' A' ' 22' ' ' TYR . 2.7 mp -74.87 103.72 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 111.153 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.441 ' HA ' ' CD ' ' A' ' 56' ' ' GLN . 48.4 p -119.85 -23.87 6.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.2 mp -50.02 116.02 1.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 17.9 mmt -44.39 -53.0 7.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.413 ' O ' ' CG ' ' A' ' 58' ' ' LYS . . . -52.12 -26.1 19.45 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.482 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.571 ' CD2' ' HE1' ' A' ' 19' ' ' MET . 37.5 m170 -97.69 -64.93 1.0 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.736 0.303 . . . . 0.0 110.863 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.441 ' CD ' ' HA ' ' A' ' 51' ' ' THR . 17.2 mt-30 -39.25 -45.26 1.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -56.26 -39.68 73.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.528 ' N ' ' HD2' ' A' ' 58' ' ' LYS . 4.2 mmmm -69.32 -62.29 1.44 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.468 HD13 ' CG2' ' A' ' 50' ' ' ILE . 87.0 mt -48.02 -54.95 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.2 mt -62.81 -56.66 15.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.35 -22.63 51.54 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.499 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 58' ' ' LYS . 29.2 t -82.4 -24.37 34.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.804 0.335 . . . . 0.0 110.819 -179.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.498 ' O ' ' N ' ' A' ' 66' ' ' MET . 96.0 mt -84.24 -55.42 7.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.142 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -39.55 -39.52 0.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.6 t -78.4 -32.33 48.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.498 ' N ' ' O ' ' A' ' 63' ' ' ILE . 23.5 mtm -64.93 -34.91 79.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.4 ptt180 -93.32 -36.46 12.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -41.27 -38.89 1.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.459 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 8.4 pt20 -62.89 -43.94 97.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.459 ' N ' ' HG3' ' A' ' 69' ' ' GLN . 41.9 mt -49.4 -64.44 0.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.6 t -62.44 -42.54 99.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.124 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.5 t -64.61 129.0 38.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.0 m -57.02 115.35 2.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.127 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -147.93 110.07 4.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -105.71 136.28 13.12 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.48 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 88.3 p -149.88 118.07 6.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.928 0.394 . . . . 0.0 110.855 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -112.12 95.58 0.8 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.486 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.08 178.8 0.04 OUTLIER 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.708 2.272 . . . . 0.0 112.324 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 54.1 p -148.38 155.38 41.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 46.0 t -79.23 134.96 36.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.49 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.0 p 50.18 42.42 25.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.907 0.384 . . . . 0.0 110.822 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.7 t -47.89 -46.92 32.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.03 71.69 0.27 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.6 p -113.59 142.41 46.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.867 0.365 . . . . 0.0 110.815 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.2 p -124.66 171.4 10.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.815 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.28 71.29 0.22 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.467 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.496 ' CD1' ' HG ' ' A' ' 34' ' ' LEU . 4.5 pp -109.24 -177.89 3.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.928 0.394 . . . . 0.0 110.914 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 11' ' ' GLY . 11.6 t -107.02 148.17 29.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.457 ' HB ' ' CD ' ' A' ' 23' ' ' ARG . 46.2 t -39.37 -25.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -76.86 -49.34 7.82 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.471 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.66 -59.8 3.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.806 0.336 . . . . 0.0 110.849 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.568 ' CZ3' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -55.47 -63.94 1.0 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.504 ' HG ' ' CE3' ' A' ' 13' ' ' TRP . 45.9 mt -44.58 -45.95 9.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -50.39 -45.26 55.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 53.5 m -51.21 -47.87 62.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.836 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 26.3 pt -84.37 12.5 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.145 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.5 mtm180 61.54 33.77 18.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 31.2 mmt -119.66 2.17 11.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -51.94 -20.62 6.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.1 ptp85 -62.31 -24.81 67.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.348 . . . . 0.0 110.874 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.589 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 32.6 m-85 -89.49 -10.54 45.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.95 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.457 ' CD ' ' HB ' ' A' ' 10' ' ' VAL . 8.9 tpt180 -42.47 -55.98 3.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.852 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -42.93 -32.9 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.589 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 11.9 m-70 -66.38 -59.45 3.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.805 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.625 ' CG ' ' CD1' ' A' ' 48' ' ' LEU . 25.8 m-85 -47.25 -44.06 22.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.55 -29.73 59.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.79 -39.23 24.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.4 0.2 34.53 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.526 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.07 18.66 36.11 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.454 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.594 ' CD1' ' SD ' ' A' ' 40' ' ' MET . 78.7 m-85 -120.52 100.92 7.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.878 0.371 . . . . 0.0 110.875 -179.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.0 t -112.28 -13.19 13.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.6 m -119.11 167.23 12.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.496 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -78.51 -42.51 29.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.908 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -47.2 -44.11 19.62 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.516 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 8.0 ptp -77.75 -24.37 49.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.812 0.339 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.568 HG12 ' CZ3' ' A' ' 13' ' ' TRP . 7.7 t -76.4 -30.43 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.118 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.449 ' HG ' ' CA ' ' A' ' 67' ' ' ARG . 1.7 mp -66.64 -20.97 66.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -99.62 15.4 26.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.594 ' SD ' ' CD1' ' A' ' 31' ' ' TYR . 27.2 mtp -96.7 171.05 8.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.456 ' O ' ' C ' ' A' ' 42' ' ' ALA . 58.8 m-80 -157.0 165.24 36.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 41' ' ' ASN . . . -33.27 -44.92 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -52.32 -52.12 54.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 41' ' ' ASN . 32.5 m-20 -72.23 -51.68 19.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.1 t -48.56 -55.55 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.45 ' CD ' HG22 ' A' ' 51' ' ' THR . 3.1 tmm_? -43.55 -47.27 7.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.11 -34.21 55.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.147 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.625 ' CD1' ' CG ' ' A' ' 26' ' ' PHE . 19.3 mt -62.7 -27.5 69.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 123.88 -29.09 5.25 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.532 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.55 HG13 ' CD1' ' A' ' 22' ' ' TYR . 2.1 mp -68.2 99.96 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.869 0.366 . . . . 0.0 111.107 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.45 HG22 ' CD ' ' A' ' 46' ' ' ARG . 47.9 p -116.7 -27.45 6.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.178 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.3 mt -50.1 112.3 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.429 ' HA ' ' CE ' ' A' ' 53' ' ' MET . 25.1 mmt -42.66 -44.47 4.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -52.49 -35.47 44.7 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.499 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.502 ' O ' ' N ' ' A' ' 58' ' ' LYS . 17.8 m170 -95.79 -60.08 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.748 0.309 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.489 ' CG ' ' O ' ' A' ' 50' ' ' ILE . 11.1 mt-30 -36.71 -39.76 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -62.8 -43.53 98.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.2 OUTLIER -59.87 -67.71 0.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.832 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 73.2 mt -45.5 -62.58 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.443 HD21 ' N ' ' A' ' 42' ' ' ALA . 16.6 mt -54.56 -56.98 13.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -50.82 -35.31 31.13 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.403 ' O ' ' SD ' ' A' ' 66' ' ' MET . 4.6 t -78.84 -31.13 45.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 0.0 110.85 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 85.6 mt -75.71 -58.19 4.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.147 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.439 ' HG3' ' N ' ' A' ' 65' ' ' THR . 1.6 pp0? -39.82 -39.36 0.79 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.439 ' N ' ' HG3' ' A' ' 64' ' ' GLN . 9.4 t -84.42 -42.98 15.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.469 ' HE2' ' CD1' ' A' ' 34' ' ' LEU . 11.0 mtp -54.74 -37.36 65.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.449 ' CA ' ' HG ' ' A' ' 38' ' ' LEU . 7.9 ptt180 -81.05 -35.35 31.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.89 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.42 ' N ' ' HG3' ' A' ' 67' ' ' ARG . . . -44.91 -42.23 7.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.453 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 16.6 pt20 -45.14 -44.44 10.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.453 ' N ' ' HG3' ' A' ' 69' ' ' GLN . 8.2 mt -54.08 -40.51 67.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.403 ' O ' ' CG2' ' A' ' 71' ' ' THR . 10.1 t -152.16 99.96 2.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 65.4 p -111.66 165.88 11.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.9 t -86.26 149.49 25.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.161 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -83.36 111.99 19.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -102.16 -88.23 2.03 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.479 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 54.9 p -142.05 147.34 36.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.948 0.404 . . . . 0.0 110.835 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -64.33 112.27 4.86 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.519 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.07 166.24 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.725 2.283 . . . . 0.0 112.295 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 70.0 p -118.57 164.51 15.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.835 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 29.1 t -113.12 145.09 41.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.367 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.472 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.6 t -56.58 -45.2 81.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.892 0.377 . . . . 0.0 110.832 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -109.91 103.92 12.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.837 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.68 138.58 6.0 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.51 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 t -76.85 148.38 36.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.873 0.368 . . . . 0.0 110.81 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 t -75.77 -52.67 9.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.75 -47.68 0.36 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.495 ' CD1' HD22 ' A' ' 34' ' ' LEU . 4.4 pp -108.6 -178.58 3.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.952 0.406 . . . . 0.0 110.861 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 11' ' ' GLY . 5.8 t -106.55 147.36 29.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.174 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.447 ' CG1' HD12 ' A' ' 14' ' ' LEU . 69.5 t -36.75 -28.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -72.42 -53.62 8.56 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.502 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -46.5 -62.91 1.16 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.845 0.355 . . . . 0.0 110.853 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.57 ' CZ3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -52.84 -63.4 1.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.566 ' HG ' ' CE3' ' A' ' 13' ' ' TRP . 58.7 mt -46.67 -35.61 6.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -60.64 -37.82 82.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.835 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 t -56.35 -40.71 74.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.453 HD13 ' CG ' ' A' ' 19' ' ' MET . 16.6 pt -92.57 15.17 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.155 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 57.56 31.07 19.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.453 ' CG ' HD13 ' A' ' 17' ' ' ILE . 34.6 mmm -115.43 3.11 14.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.14 -19.67 2.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -58.95 -25.83 63.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.844 0.355 . . . . 0.0 110.914 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.58 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 31.4 m-85 -92.69 -9.07 42.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.0 ptt-85 -46.45 -41.46 13.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -59.33 -30.89 68.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.58 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 9.6 m-70 -66.67 -55.75 13.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.629 ' CG ' ' CD1' ' A' ' 48' ' ' LEU . 21.4 m-85 -45.23 -45.12 11.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.26 -31.66 61.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.04 -39.55 63.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.079 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.12 -0.58 61.31 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.26 15.43 44.44 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.462 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.563 ' CD1' ' SD ' ' A' ' 40' ' ' MET . 88.9 m-85 -116.46 107.58 14.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.827 0.346 . . . . 0.0 110.935 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.1 t -119.84 -12.1 9.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.5 m -118.29 164.54 15.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.495 HD22 ' CD1' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -76.91 -42.26 40.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -47.32 -44.63 21.09 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.506 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.5 ptp -78.96 -24.31 43.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.828 0.347 . . . . 0.0 110.879 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.57 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 7.5 t -76.01 -29.15 19.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.44 HD11 ' N ' ' A' ' 38' ' ' LEU . 1.9 mp -67.83 -23.14 65.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -97.23 13.01 30.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.563 ' SD ' ' CD1' ' A' ' 31' ' ' TYR . 27.4 mtp -95.25 -178.98 4.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.487 ' O ' ' N ' ' A' ' 44' ' ' ASP . 0.7 OUTLIER -168.73 164.18 12.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.894 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 41' ' ' ASN . . . -33.25 -41.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.054 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 16.0 tp60 -56.89 -47.98 79.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 41' ' ' ASN . 41.3 m-20 -78.96 -42.99 25.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.4 t -55.33 -52.68 43.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -44.19 -45.76 8.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.72 -34.56 53.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.629 ' CD1' ' CG ' ' A' ' 26' ' ' PHE . 14.3 mt -64.84 -29.7 70.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 126.35 -28.86 4.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.473 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.574 HG13 ' CD1' ' A' ' 22' ' ' TYR . 2.8 mp -66.18 100.0 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.884 0.373 . . . . 0.0 111.16 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.497 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 70.9 p -120.04 -25.65 5.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.143 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 55' ' ' HIS . 3.1 mm? -45.57 102.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.476 ' C ' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -32.02 -41.32 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . -64.89 -46.25 90.01 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.449 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.5 ' N ' ' O ' ' A' ' 52' ' ' LEU . 11.3 m170 -74.4 -57.52 3.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.762 0.315 . . . . 0.0 110.885 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.497 ' NE2' ' HA ' ' A' ' 51' ' ' THR . 18.9 mt-30 -41.33 -44.15 2.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.959 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.4 mttm -56.92 -45.45 82.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.37 -62.93 1.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.3 mt -53.71 -66.92 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.128 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.1 mp -47.78 -54.29 12.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.1 -33.47 79.72 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.519 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.0 t -71.5 -32.72 68.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 110.886 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 95.0 mt -73.69 -50.8 27.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.174 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.423 ' HG2' ' N ' ' A' ' 65' ' ' THR . 3.5 pt20 -45.37 -36.7 4.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.473 HG22 ' N ' ' A' ' 66' ' ' MET . 14.8 t -81.98 -26.79 33.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.518 ' HE1' ' CD2' ' A' ' 13' ' ' TRP . 34.7 mtm -75.68 -31.25 59.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -88.09 -34.03 18.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.881 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.2 -44.02 52.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.413 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 10.9 pt20 -49.08 -43.9 41.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.413 ' N ' ' HG3' ' A' ' 69' ' ' GLN . 14.8 mt -58.51 -53.77 54.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 72.0 p -58.48 -44.52 89.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.14 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.7 t -78.01 105.16 9.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.3 m -71.29 144.31 50.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.134 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.37 168.71 11.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -155.66 135.92 4.82 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.501 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 59.6 p -142.32 169.89 16.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.915 0.388 . . . . 0.0 110.815 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -99.7 -174.26 30.83 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.504 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.08 98.77 0.04 OUTLIER 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.73 2.287 . . . . 0.0 112.292 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.6 m -63.77 157.78 23.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 26.5 p -76.75 125.13 28.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.841 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.494 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t -55.69 158.13 3.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.846 0.355 . . . . 0.0 110.872 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.7 p -162.68 147.02 11.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.9 -177.28 16.04 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.498 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.0 p -113.06 123.48 50.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.893 0.378 . . . . 0.0 110.876 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.4 t -150.89 171.96 16.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.3 -77.28 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.507 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.485 ' CD1' ' HG ' ' A' ' 34' ' ' LEU . 4.5 pp -90.96 -178.2 5.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.882 0.373 . . . . 0.0 110.893 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.504 ' O ' ' N ' ' A' ' 11' ' ' GLY . 9.0 t -105.44 146.61 29.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.6 t -37.95 -26.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -75.47 -49.95 8.71 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.508 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.43 -57.48 7.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.749 0.309 . . . . 0.0 110.857 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.607 ' CE3' ' HG ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -58.33 -60.54 3.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.937 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.607 ' HG ' ' CE3' ' A' ' 13' ' ' TRP . 30.7 mt -47.04 -40.52 14.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -52.93 -40.24 63.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.6 t -51.48 -44.03 62.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.447 HG13 ' CG ' ' A' ' 19' ' ' MET . 30.9 pt -96.0 14.53 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.07 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.8 mmt85 57.83 39.7 26.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.447 ' CG ' HG13 ' A' ' 17' ' ' ILE . 31.2 mmt -118.51 -0.82 11.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.456 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -50.52 -17.88 2.2 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.482 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.545 ' NH1' ' CE1' ' A' ' 22' ' ' TYR . 8.4 ptm180 -61.4 -25.56 67.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.838 0.351 . . . . 0.0 110.918 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.578 ' CE2' HG23 ' A' ' 50' ' ' ILE . 16.4 m-85 -90.54 -13.07 35.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.944 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.455 ' C ' ' O ' ' A' ' 22' ' ' TYR . 17.9 ttt180 -33.7 -65.64 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 23' ' ' ARG . 0.5 OUTLIER -36.35 -41.78 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.563 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 16.9 m-70 -56.71 -58.85 6.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.819 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.574 ' CD2' HD12 ' A' ' 48' ' ' LEU . 37.2 m-85 -43.83 -50.06 8.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.93 -31.34 39.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.9 -38.29 37.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.459 ' HA3' ' CD2' ' A' ' 48' ' ' LEU . . . -74.15 2.87 41.73 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.539 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.83 18.69 33.83 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.504 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.707 ' CE2' ' CG ' ' A' ' 40' ' ' MET . 62.0 m-85 -121.22 100.17 6.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.892 0.377 . . . . 0.0 110.942 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.9 t -111.32 11.34 21.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.825 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.1 m -155.01 173.14 17.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.485 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -79.63 -37.94 34.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -39.53 -35.57 0.56 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.66 -36.16 12.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.561 HG13 ' CZ3' ' A' ' 13' ' ' TRP . 77.7 t -58.7 -37.81 67.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.476 HD21 ' N ' ' A' ' 38' ' ' LEU . 4.3 mm? -59.38 -22.33 61.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.7 ptp85 -108.55 19.95 19.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.707 ' CG ' ' CE2' ' A' ' 31' ' ' TYR . 23.2 mtp -95.28 160.7 14.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.479 ' O ' ' N ' ' A' ' 44' ' ' ASP . 22.1 m-80 -151.17 171.64 17.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.864 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.471 ' N ' HD23 ' A' ' 60' ' ' LEU . . . -35.25 -49.95 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.056 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -53.55 -42.93 68.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 41' ' ' ASN . 20.5 m-20 -77.15 -54.39 6.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.473 HG23 ' CD2' ' A' ' 60' ' ' LEU . 94.2 t -50.07 -53.69 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.168 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.435 ' CD ' HG22 ' A' ' 51' ' ' THR . 2.9 tmm_? -47.6 -46.01 27.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.67 -36.15 61.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.155 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.574 HD12 ' CD2' ' A' ' 26' ' ' PHE . 20.4 mt -64.34 -27.74 69.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 129.03 -31.41 3.49 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.478 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.578 HG23 ' CE2' ' A' ' 22' ' ' TYR . 2.2 mp -64.46 104.08 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.912 0.387 . . . . 0.0 111.152 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.455 ' HA ' ' CD ' ' A' ' 56' ' ' GLN . 43.2 p -119.89 -29.7 4.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 53' ' ' MET . 4.9 mp -49.91 108.11 0.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.403 ' C ' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -37.81 -56.23 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -42.82 -38.51 3.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.53 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 58' ' ' LYS . 11.6 m170 -92.35 -59.31 2.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.748 0.309 . . . . 0.0 110.855 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.455 ' CD ' ' HA ' ' A' ' 51' ' ' THR . 10.5 mt-30 -36.42 -41.24 0.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.2 mmtm -62.06 -44.06 97.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.1 OUTLIER -58.08 -67.04 0.38 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.885 179.88 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 89.5 mt -49.06 -65.68 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.174 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.473 ' CD2' HG23 ' A' ' 45' ' ' VAL . 58.3 mt -51.24 -59.0 4.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -56.29 -26.36 50.42 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.476 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.6 t -79.0 -26.95 43.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.911 0.386 . . . . 0.0 110.927 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 89.3 mt -81.46 -55.39 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.164 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -43.04 -36.23 1.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.46 HG22 ' N ' ' A' ' 66' ' ' MET . 6.3 t -84.05 -30.12 26.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.118 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.475 ' HE3' ' CD1' ' A' ' 34' ' ' LEU . 5.6 mtm -68.26 -32.59 72.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.876 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.406 ' CA ' HD13 ' A' ' 38' ' ' LEU . 2.6 ptm180 -88.74 -33.21 17.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -45.06 -42.68 8.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.059 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.455 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 7.7 pt20 -66.24 -38.99 89.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.951 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.455 ' N ' ' HG3' ' A' ' 69' ' ' GLN . 21.4 mt -58.46 -12.45 3.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 40.6 p -144.38 100.04 3.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.126 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.499 ' O ' ' CG2' ' A' ' 73' ' ' THR . 1.1 t 69.97 -169.99 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.499 ' CG2' ' O ' ' A' ' 72' ' ' SER . 9.0 t 47.51 18.92 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.4 ' N ' ' C ' ' A' ' 72' ' ' SER . 8.4 pt20 -55.9 167.42 0.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 168.61 -42.03 0.22 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.458 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.0 m -67.89 -59.36 3.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.914 0.387 . . . . 0.0 110.867 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 83.74 81.49 1.0 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.462 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.11 177.85 0.05 OUTLIER 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.739 2.293 . . . . 0.0 112.33 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 69.8 m -144.87 114.25 7.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 40.7 t -107.73 134.92 50.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 -179.975 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 t -158.76 152.03 22.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 0.0 110.838 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -147.53 134.02 19.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.82 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.65 -120.01 3.29 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.501 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.7 t -86.98 159.17 19.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 0.0 110.852 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.8 m -80.85 -46.44 15.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.99 -36.14 0.56 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.495 ' CD1' ' HG ' ' A' ' 34' ' ' LEU . 4.5 pp -109.12 -179.37 3.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.914 0.387 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 11' ' ' GLY . 8.8 t -107.04 150.6 26.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.142 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.442 ' CG1' HD11 ' A' ' 14' ' ' LEU . 55.1 t -40.73 -24.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -77.97 -50.37 6.43 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.471 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -49.92 -57.05 8.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.815 0.34 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.571 ' CZ3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -58.56 -64.02 1.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.564 ' HG ' ' CE3' ' A' ' 13' ' ' TRP . 51.5 mt -44.68 -42.57 7.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.938 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -52.3 -38.32 58.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.892 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.7 t -53.12 -44.84 68.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.423 ' O ' ' SD ' ' A' ' 19' ' ' MET . 11.7 pt -93.87 6.96 6.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.453 ' C ' ' SD ' ' A' ' 19' ' ' MET . 16.0 mtp-105 67.42 32.45 5.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.453 ' SD ' ' C ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -110.25 -2.32 16.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.466 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -50.12 -23.75 6.03 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -57.01 -23.0 43.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.817 0.341 . . . . 0.0 110.851 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.537 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 35.0 m-85 -95.22 -11.54 27.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 22' ' ' TYR . 14.0 ttt180 -36.35 -61.64 0.5 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.552 ' OD1' ' CD2' ' A' ' 25' ' ' HIS . 3.3 p30 -38.62 -39.94 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.552 ' CD2' ' OD1' ' A' ' 24' ' ' ASP . 16.5 m-70 -59.12 -59.92 4.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.577 ' CD2' HD12 ' A' ' 48' ' ' LEU . 25.7 m-85 -43.56 -47.72 7.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.72 -33.85 56.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.076 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.99 -39.11 56.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.083 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.04 4.7 22.57 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.488 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.04 19.55 36.07 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.47 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.7 ' CE2' ' CG ' ' A' ' 40' ' ' MET . 86.8 m-85 -121.7 106.2 11.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.856 0.36 . . . . 0.0 110.915 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 97.1 p -114.87 -14.0 11.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.0 m -127.39 171.34 11.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.495 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.4 OUTLIER -77.91 -37.31 48.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.949 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -41.82 -46.15 4.87 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.463 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.17 -40.37 27.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 0.0 110.884 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.571 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 30.6 t -54.23 -44.35 64.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.168 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.432 ' CD2' ' HB3' ' A' ' 66' ' ' MET . 33.5 mt -58.54 -15.65 12.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.7 mtt180 -107.75 19.73 19.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.7 ' CG ' ' CE2' ' A' ' 31' ' ' TYR . 28.1 mtp -100.56 174.11 6.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.469 ' O ' ' N ' ' A' ' 44' ' ' ASP . 69.1 m-80 -161.95 168.38 22.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.459 ' C ' ' O ' ' A' ' 41' ' ' ASN . . . -32.9 -44.59 0.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -56.66 -49.36 75.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 41' ' ' ASN . 64.7 m-20 -73.54 -48.81 30.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.41 ' CB ' HD11 ' A' ' 60' ' ' LEU . 96.7 t -52.41 -56.06 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.473 ' CD ' HG22 ' A' ' 51' ' ' THR . 4.2 tmm_? -46.55 -45.33 18.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.18 -38.06 56.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.133 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.577 HD12 ' CD2' ' A' ' 26' ' ' PHE . 26.5 mt -63.47 -24.76 67.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 121.61 -30.43 5.35 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.516 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.485 HG13 ' CD1' ' A' ' 22' ' ' TYR . 3.3 mp -63.46 100.06 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.91 0.386 . . . . 0.0 111.12 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.478 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 29.0 p -119.97 -20.71 7.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.401 ' O ' ' N ' ' A' ' 55' ' ' HIS . 3.7 mm? -50.01 113.57 0.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -43.29 -43.48 4.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -62.93 -30.53 77.61 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.517 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 56' ' ' GLN . 14.8 m170 -91.83 -63.71 1.21 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.738 0.304 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.478 ' NE2' ' HA ' ' A' ' 51' ' ' THR . 17.1 mt-30 -36.27 -47.17 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -53.72 -48.17 69.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.3 OUTLIER -58.19 -64.91 0.75 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.89 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.477 HD12 ' CG2' ' A' ' 50' ' ' ILE . 80.1 mt -50.54 -61.99 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.165 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.41 HD11 ' CB ' ' A' ' 45' ' ' VAL . 10.7 mp -52.42 -58.49 6.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.27 -29.11 59.71 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.2 t -76.04 -28.3 57.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.359 . . . . 0.0 110.871 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 66' ' ' MET . 91.3 mt -83.41 -54.66 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.147 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.456 ' HA ' ' NE ' ' A' ' 67' ' ' ARG . 4.8 pt20 -40.75 -39.38 1.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.8 t -81.14 -31.57 34.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 63' ' ' ILE . 11.0 mtm -71.57 -29.93 65.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.456 ' NE ' ' HA ' ' A' ' 64' ' ' GLN . 23.4 ptt85 -91.8 -36.32 13.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.81 -40.77 56.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.443 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 8.3 pt20 -58.53 -37.92 76.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.443 ' N ' ' HG3' ' A' ' 69' ' ' GLN . 71.2 mt -46.48 -59.73 2.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 69.1 p -52.87 -45.63 67.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.106 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 68.8 m -53.42 153.41 4.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.815 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.444 HG21 ' N ' ' A' ' 74' ' ' GLN . 7.5 t -80.82 -40.02 25.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.123 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.444 ' N ' HG21 ' A' ' 73' ' ' THR . 3.2 tp-100 -76.03 139.06 41.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 115.18 -87.55 0.44 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.514 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 97.3 p 50.27 41.43 24.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.9 0.381 . . . . 0.0 110.844 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 50.98 -177.57 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.507 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.14 159.04 4.42 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.719 2.28 . . . . 0.0 112.32 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.4 t -57.96 -53.04 62.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.832 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 68.6 p -93.1 122.41 35.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.88 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.485 -179.992 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.7 m -121.47 156.42 32.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.903 0.382 . . . . 0.0 110.852 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.9 m -126.41 108.93 11.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.76 -135.14 3.3 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.464 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.0 p -87.66 129.52 35.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.88 0.371 . . . . 0.0 110.873 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.0 m -54.9 -56.88 14.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.879 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.16 64.14 3.55 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.488 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.506 ' CD1' ' HG ' ' A' ' 34' ' ' LEU . 4.4 pp -114.73 -177.72 3.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.915 0.388 . . . . 0.0 110.914 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 11' ' ' GLY . 9.6 t -107.95 147.28 31.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.472 ' HB ' ' CD ' ' A' ' 23' ' ' ARG . 42.5 t -38.09 -27.77 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.098 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -74.59 -47.27 16.13 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -52.58 -63.51 1.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.766 0.317 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.57 ' CZ3' HG13 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -51.91 -61.83 2.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.499 ' HG ' ' CE3' ' A' ' 13' ' ' TRP . 48.3 mt -46.56 -48.51 19.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.939 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -50.07 -41.51 48.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.8 t -52.16 -48.85 64.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.9 pt -87.16 17.06 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.162 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 70.2 mtt180 59.74 35.63 22.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.846 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 32.1 mmt -119.62 -1.39 10.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -51.03 -21.09 5.02 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -61.8 -27.5 68.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.8 0.333 . . . . 0.0 110.886 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.576 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 30.6 m-85 -86.69 -10.28 54.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.961 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.472 ' CD ' ' HB ' ' A' ' 10' ' ' VAL . 8.1 tpt180 -39.04 -59.81 0.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.863 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -40.02 -36.55 0.49 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.576 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 13.5 m-70 -62.64 -59.32 5.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.625 ' CG ' ' CD1' ' A' ' 48' ' ' LEU . 26.4 m-85 -46.69 -46.76 20.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.51 -34.51 67.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.116 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.82 -33.69 66.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.087 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.88 -0.96 83.5 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.493 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.26 14.47 41.69 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.426 ' CD1' ' SD ' ' A' ' 40' ' ' MET . 93.0 m-85 -114.73 110.14 19.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.863 0.363 . . . . 0.0 110.948 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.0 t -119.36 -14.23 9.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.836 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.5 m -119.08 167.17 12.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.506 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -78.54 -42.97 27.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.946 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -46.26 -45.62 15.88 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.518 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 20.0 ptp -77.26 -23.84 51.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.358 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.57 HG13 ' CZ3' ' A' ' 13' ' ' TRP . 5.9 t -75.92 -31.23 21.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.085 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.8 mp -66.38 -27.9 68.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.0 ptt180 -91.63 17.14 9.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.453 ' HE2' ' CB ' ' A' ' 44' ' ' ASP . 36.6 mtp -93.56 172.55 8.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' ' 44' ' ' ASP . 37.7 m-80 -154.32 166.28 33.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 41' ' ' ASN . . . -37.16 -38.97 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.066 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -61.49 -46.14 91.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.453 ' CB ' ' HE2' ' A' ' 40' ' ' MET . 2.4 m-20 -72.41 -57.85 3.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.4 ' CG2' ' HE1' ' A' ' 40' ' ' MET . 42.4 t -51.0 -52.37 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.461 ' HD2' ' CG2' ' A' ' 51' ' ' THR . 14.1 tpt180 -48.56 -40.88 28.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.848 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.99 -33.7 72.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.625 ' CD1' ' CG ' ' A' ' 26' ' ' PHE . 39.3 mt -62.21 -22.43 65.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 122.61 -31.0 4.96 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.531 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.46 HG13 ' CD1' ' A' ' 22' ' ' TYR . 2.5 mp -67.13 101.07 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.917 0.389 . . . . 0.0 111.135 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.461 ' CG2' ' HD2' ' A' ' 46' ' ' ARG . 1.6 p -118.15 -28.51 5.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.169 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.7 mp -50.5 113.64 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 27.6 mmt -42.95 -49.91 5.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -48.89 -32.8 11.99 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.54 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.489 ' O ' ' N ' ' A' ' 58' ' ' LYS . 14.5 m170 -97.53 -61.17 1.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.787 0.327 . . . . 0.0 110.872 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.443 ' CD ' ' HA ' ' A' ' 51' ' ' THR . 11.9 mt-30 -36.25 -34.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 55' ' ' HIS . 72.5 mttt -67.34 -45.65 75.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.5 OUTLIER -58.29 -64.78 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.916 179.845 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 84.2 mt -47.75 -69.14 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.5 mt -54.44 -58.99 5.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -49.68 -31.8 16.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.421 ' O ' ' CG2' ' A' ' 65' ' ' THR . 10.4 t -79.73 -29.99 40.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 0.0 110.863 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 66' ' ' MET . 96.2 mt -73.92 -54.47 14.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -41.13 -33.49 0.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.452 HG21 ' N ' ' A' ' 66' ' ' MET . 15.4 t -86.71 -29.3 22.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.495 ' N ' ' O ' ' A' ' 63' ' ' ILE . 26.3 mtm -65.89 -33.83 76.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 67' ' ' ARG . 0.4 OUTLIER -87.19 -38.68 16.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.852 -179.923 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -40.81 -40.09 1.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.446 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 18.1 pt20 -51.65 -44.11 62.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 72' ' ' SER . 12.0 mt -47.58 -34.53 7.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.431 HG23 ' C ' ' A' ' 70' ' ' LEU . 10.0 t 37.13 28.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 70' ' ' LEU . 36.9 m -88.94 162.47 16.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.829 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 30.6 m -61.16 126.68 28.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.12 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -110.32 177.15 4.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -102.28 -76.18 1.15 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.531 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.4 t -58.75 153.35 16.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.973 0.416 . . . . 0.0 110.817 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -89.78 151.08 21.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.515 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 79' ' ' SER . 53.5 Cg_exo -52.05 -25.24 21.94 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.766 2.311 . . . . 0.0 112.314 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 78' ' ' PRO . 7.5 t -35.47 -63.31 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 87.8 p -94.93 110.41 22.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.523 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.3 p -98.99 -31.03 12.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.864 0.364 . . . . 0.0 110.833 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.7 m -97.35 -58.76 1.93 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.65 65.92 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.516 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.6 p -82.49 130.47 35.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.873 0.368 . . . . 0.0 110.885 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.2 p -115.19 164.41 14.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.853 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.55 61.26 0.39 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.463 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.489 ' CD1' ' HG ' ' A' ' 34' ' ' LEU . 4.7 pp -109.52 -178.01 3.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.975 0.417 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.1 t -103.97 148.09 26.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.442 HG21 ' CG2' ' A' ' 37' ' ' VAL . 24.5 t -41.17 -32.65 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.45 -49.95 35.05 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.535 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -50.22 -62.82 1.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.576 ' CZ3' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -51.33 -62.43 1.62 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.54 ' HG ' ' CE3' ' A' ' 13' ' ' TRP . 47.6 mt -46.41 -45.59 18.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.874 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -47.56 -43.76 25.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.833 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.9 t -50.92 -44.36 60.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.463 HD11 ' CB ' ' A' ' 62' ' ' SER . 29.5 pt -93.95 16.39 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 70.1 mtm180 58.77 34.02 23.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.46 ' CG ' HG13 ' A' ' 17' ' ' ILE . 30.6 mmt -114.01 -1.99 13.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.459 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -48.95 -24.96 4.8 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.422 ' NH1' ' HB3' ' A' ' 21' ' ' ARG . 2.9 ptp180 -58.07 -31.27 66.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.779 0.324 . . . . 0.0 110.853 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.547 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 37.0 m-85 -87.09 -9.98 54.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -45.92 -42.72 13.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.842 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -55.15 -32.34 62.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.547 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 10.5 m-70 -66.65 -56.12 12.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.827 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.565 ' CD1' HD12 ' A' ' 48' ' ' LEU . 27.8 m-85 -45.01 -44.83 10.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.865 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.76 -32.17 63.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.068 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.83 -35.4 60.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.122 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.36 3.45 62.68 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.507 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.33 22.27 27.45 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.501 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.623 ' CE2' ' CG ' ' A' ' 40' ' ' MET . 95.8 m-85 -121.09 103.78 9.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.871 0.367 . . . . 0.0 110.865 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.8 t -109.74 -12.86 14.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.8 m -131.47 172.94 11.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.489 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -77.6 -36.54 51.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -40.93 -40.1 2.17 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.463 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.504 ' HB2' ' CD2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -87.64 -29.91 20.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.78 0.324 . . . . 0.0 110.886 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.576 HG12 ' CZ3' ' A' ' 13' ' ' TRP . 53.8 t -66.17 -36.57 77.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.459 HD21 ' N ' ' A' ' 38' ' ' LEU . 4.5 mm? -64.19 -24.01 67.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -102.11 20.04 17.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.623 ' CG ' ' CE2' ' A' ' 31' ' ' TYR . 63.8 mtp -98.93 174.02 6.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.88 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 42' ' ' ALA . 70.4 m-80 -157.99 167.28 30.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.431 ' N ' HD13 ' A' ' 60' ' ' LEU . . . -37.46 -37.39 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.093 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -59.9 -49.59 77.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.417 ' CB ' ' HE2' ' A' ' 40' ' ' MET . 18.0 m-20 -72.86 -49.41 30.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.471 ' CG2' HD21 ' A' ' 60' ' ' LEU . 57.9 t -55.46 -54.12 28.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.477 ' NE ' HG23 ' A' ' 51' ' ' THR . 14.0 tpt180 -48.35 -39.05 20.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.46 -35.08 78.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.565 HD12 ' CD1' ' A' ' 26' ' ' PHE . 69.6 mt -60.43 -25.33 65.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 125.8 -29.32 4.71 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.505 ' O ' ' CG ' ' A' ' 56' ' ' GLN . 2.4 mp -65.75 101.1 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.901 0.381 . . . . 0.0 111.128 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.477 HG23 ' NE ' ' A' ' 46' ' ' ARG . 23.3 p -115.93 -26.97 7.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.167 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.5 mt -50.1 110.73 0.42 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 10.9 mmt -41.15 -48.67 3.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.498 ' O ' ' CD ' ' A' ' 58' ' ' LYS . . . -49.81 -38.57 30.38 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.509 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.498 ' O ' ' N ' ' A' ' 57' ' ' LYS . 10.6 m170 -91.24 -59.64 2.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.763 0.316 . . . . 0.0 110.868 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.505 ' CG ' ' O ' ' A' ' 50' ' ' ILE . 12.0 mt-30 -37.82 -27.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 55' ' ' HIS . 27.5 mttp -77.02 -45.25 27.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.498 ' CD ' ' O ' ' A' ' 54' ' ' GLY . 0.5 OUTLIER -60.15 -61.78 2.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.896 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.3 mt -47.0 -62.61 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.119 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.471 HD21 ' CG2' ' A' ' 45' ' ' VAL . 4.6 mm? -57.66 -58.18 9.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.939 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.38 -26.97 31.65 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.497 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.463 ' CB ' HD11 ' A' ' 17' ' ' ILE . 22.9 t -80.9 -25.21 37.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.803 0.335 . . . . 0.0 110.853 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 85.2 mt -83.82 -50.59 15.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -47.62 -37.47 12.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.9 t -79.99 -31.48 39.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.17 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.464 ' HE1' ' CD1' ' A' ' 34' ' ' LEU . 18.3 mtm -67.88 -31.95 72.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.431 ' HB3' ' CD1' ' A' ' 38' ' ' LEU . 3.2 ptm180 -93.78 -34.91 13.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -49.72 -40.15 39.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.096 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.457 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 11.5 pt20 -59.27 -38.09 79.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.457 ' N ' ' HG3' ' A' ' 69' ' ' GLN . 43.1 mt -41.37 -41.11 1.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.2 t -151.92 100.1 2.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.5 t -143.35 143.8 31.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.1 m -79.33 103.43 9.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.151 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -138.92 157.9 45.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.952 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 160.19 -42.5 0.44 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.527 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.1 m -43.02 -47.36 5.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.903 0.383 . . . . 0.0 110.86 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 161.73 92.67 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.494 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.0 -18.69 7.35 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.788 2.326 . . . . 0.0 112.317 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 34.3 t 62.35 42.21 9.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 89.9 p -106.8 117.86 35.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.868 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.451 179.976 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.6 m 62.67 42.62 8.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.869 0.366 . . . . 0.0 110.814 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.5 p -110.21 102.03 10.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.787 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.96 120.3 1.07 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.508 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -100.28 168.48 9.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.373 . . . . 0.0 110.847 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.4 p -82.38 148.09 28.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.79 75.52 1.03 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.449 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.485 ' CD1' ' HG ' ' A' ' 34' ' ' LEU . 4.4 pp -107.38 -178.9 3.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.968 0.413 . . . . 0.0 110.88 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 11' ' ' GLY . 10.1 t -107.79 148.01 30.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.201 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.447 HG11 ' CG ' ' A' ' 26' ' ' PHE . 70.6 t -37.33 -27.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.095 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -73.68 -53.87 7.03 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.517 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -46.53 -62.7 1.25 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.784 0.326 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.592 ' CZ3' HG13 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -52.85 -63.19 1.23 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.944 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.582 ' HG ' ' CE3' ' A' ' 13' ' ' TRP . 53.2 mt -46.27 -34.95 4.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -59.27 -36.05 74.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.0 m -58.22 -41.64 84.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.4 pt -92.36 16.62 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 55.66 35.01 24.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.812 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 43.5 mmm -119.41 1.61 11.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.12 -18.23 2.03 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.494 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -60.53 -27.33 67.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.845 0.355 . . . . 0.0 110.874 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.571 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 37.6 m-85 -91.41 -9.09 46.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.429 ' CG ' ' N ' ' A' ' 24' ' ' ASP . 21.6 ptt-85 -44.91 -44.94 10.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.821 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.429 ' N ' ' CG ' ' A' ' 23' ' ' ARG . 57.4 m-20 -54.51 -32.74 58.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.571 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 10.8 m-70 -65.5 -51.65 58.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.574 ' CD1' HD13 ' A' ' 48' ' ' LEU . 20.9 m-85 -46.96 -47.2 21.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.9 -28.18 61.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.081 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.99 -35.01 32.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.06 6.36 56.53 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.515 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.06 16.26 51.38 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.504 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.595 ' CD2' ' SD ' ' A' ' 40' ' ' MET . 78.9 m-85 -121.92 100.76 7.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.939 0.4 . . . . 0.0 110.911 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.2 t -114.9 9.68 16.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.898 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.4 m -146.13 168.2 21.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.805 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.485 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -77.69 -45.21 25.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.951 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -42.88 -30.95 1.07 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.479 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 7.5 ptp -95.02 -20.5 19.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.329 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.592 HG13 ' CZ3' ' A' ' 13' ' ' TRP . 38.0 t -77.07 -36.46 24.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.134 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.42 ' CD1' ' HB3' ' A' ' 67' ' ' ARG . 3.9 mm? -61.02 -20.5 62.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.5 ptt85 -105.13 16.17 26.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.595 ' SD ' ' CD2' ' A' ' 31' ' ' TYR . 26.3 mtp -94.77 166.36 12.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -154.66 173.55 16.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.462 ' N ' HD21 ' A' ' 60' ' ' LEU . . . -40.46 -45.09 2.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.081 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -51.86 -51.73 54.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -72.34 -52.96 13.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 87.8 t -47.98 -55.52 2.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -42.96 -46.28 5.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.15 -35.7 65.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.124 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.574 HD13 ' CD1' ' A' ' 26' ' ' PHE . 21.3 mt -58.89 -29.07 66.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 122.27 -22.67 7.43 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.559 HG13 ' CD1' ' A' ' 22' ' ' TYR . 2.5 mp -72.67 103.21 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.952 0.406 . . . . 0.0 111.115 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.468 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 58.2 p -118.3 -22.14 7.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.137 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 53' ' ' MET . 4.6 mm? -50.06 108.39 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.443 ' C ' ' O ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -34.71 -48.77 0.39 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.477 ' O ' ' CD ' ' A' ' 58' ' ' LYS . . . -57.05 -51.79 55.23 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.516 ' CD2' ' N ' ' A' ' 55' ' ' HIS . 3.2 m170 -70.21 -57.87 4.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.769 0.318 . . . . 0.0 110.85 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.471 ' CG ' ' O ' ' A' ' 50' ' ' ILE . 13.2 mt-30 -42.43 -37.63 1.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.972 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -67.38 -41.96 84.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.477 ' CD ' ' O ' ' A' ' 54' ' ' GLY . 0.0 OUTLIER -59.52 -60.36 3.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.843 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 68.9 mt -55.46 -62.72 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.462 HD21 ' N ' ' A' ' 42' ' ' ALA . 30.4 mt -54.95 -59.92 4.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.928 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -48.97 -35.7 18.74 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.473 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.476 ' O ' ' CG2' ' A' ' 65' ' ' THR . 9.7 t -70.16 -39.02 75.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.36 . . . . 0.0 110.882 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 88.2 mt -72.03 -57.75 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -39.9 -31.57 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.476 ' CG2' ' O ' ' A' ' 62' ' ' SER . 7.8 t -90.67 -41.06 11.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.473 ' HE2' ' NE1' ' A' ' 13' ' ' TRP . 12.4 mtm -57.97 -32.78 68.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.42 ' HB3' ' CD1' ' A' ' 38' ' ' LEU . 3.0 ptm180 -93.43 -37.02 12.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.866 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.96 -25.43 11.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 70' ' ' LEU . 5.5 pt20 -80.18 -30.83 38.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.414 ' C ' HG23 ' A' ' 71' ' ' THR . 51.7 mt -36.76 -46.58 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.414 HG23 ' C ' ' A' ' 70' ' ' LEU . 72.0 p -147.32 99.98 3.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.1 m -106.43 162.32 13.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.841 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 67.3 p -86.9 153.19 21.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.142 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 62.79 -170.03 0.18 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -96.55 -77.22 1.35 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 t -93.36 18.71 9.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.924 0.392 . . . . 0.0 110.851 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -59.85 -160.51 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.497 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.11 93.83 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.336 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.8 t -109.93 144.84 37.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.5 m -103.87 126.28 50.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.509 -179.983 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.5 p -102.36 166.98 10.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.891 0.377 . . . . 0.0 110.863 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.7 m 67.6 41.9 2.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.26 -116.4 0.49 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.504 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.7 p -90.58 147.99 22.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.876 0.37 . . . . 0.0 110.857 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.7 p -112.14 159.35 18.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.77 60.26 0.14 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.502 ' CD1' ' HG ' ' A' ' 34' ' ' LEU . 4.5 pp -119.71 -178.13 3.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.939 0.399 . . . . 0.0 110.893 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 11' ' ' GLY . 13.5 t -105.07 148.76 26.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.121 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.431 ' CG1' HD11 ' A' ' 14' ' ' LEU . 54.2 t -40.98 -23.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -78.18 -47.75 8.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.445 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -52.72 -57.58 9.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.781 0.324 . . . . 0.0 110.839 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.569 ' CH2' HD22 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -57.12 -61.95 2.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.962 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.569 HD22 ' CH2' ' A' ' 13' ' ' TRP . 51.0 mt -47.1 -47.53 23.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -49.51 -42.83 44.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.0 t -51.6 -42.34 61.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.3 pt -94.71 13.87 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.126 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 62.41 36.22 14.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.41 ' C ' ' HB3' ' A' ' 14' ' ' LEU . 31.2 mmt -119.84 -3.81 10.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.481 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -49.09 -26.19 5.99 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.48 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -56.15 -30.21 61.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.791 0.329 . . . . 0.0 110.863 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.576 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 39.6 m-85 -85.14 -11.75 54.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.1 ttt180 -38.9 -59.47 0.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -40.26 -37.0 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.576 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 14.5 m-70 -61.92 -60.06 4.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.556 ' CD2' HD13 ' A' ' 48' ' ' LEU . 30.8 m-85 -45.69 -45.13 14.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.1 -31.59 52.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.116 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.26 -41.36 41.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.078 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.2 0.64 15.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.531 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.12 17.83 36.02 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.472 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.632 ' CE1' ' CG ' ' A' ' 40' ' ' MET . 79.9 m-85 -119.18 111.12 17.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.893 0.378 . . . . 0.0 110.923 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 87.7 p -120.04 -9.86 9.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.4 p -123.94 171.27 9.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.502 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -81.63 -41.98 20.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -46.87 -46.04 19.2 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.516 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 12.9 ptp -77.5 -22.87 50.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.549 HG13 ' CZ3' ' A' ' 13' ' ' TRP . 4.8 t -76.69 -34.09 22.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.2 mp -62.13 -25.63 67.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.4 mmm180 -88.0 -16.41 33.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.632 ' CG ' ' CE1' ' A' ' 31' ' ' TYR . 59.5 mtp -63.44 177.76 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.458 ' CG ' ' O ' ' A' ' 40' ' ' MET . 76.1 m-20 -164.31 167.99 19.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -38.14 -45.85 0.98 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -54.19 -43.82 71.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 41' ' ' ASN . 74.5 m-20 -78.02 -52.8 8.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.473 ' CB ' HD22 ' A' ' 60' ' ' LEU . 54.2 t -50.25 -52.93 13.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.105 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -44.72 -45.94 10.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.21 -36.57 63.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.096 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.556 HD13 ' CD2' ' A' ' 26' ' ' PHE . 23.1 mt -58.59 -28.04 65.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 123.45 -25.17 6.34 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.499 ' O ' ' CG ' ' A' ' 56' ' ' GLN . 2.4 mp -70.73 100.82 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.922 0.391 . . . . 0.0 111.13 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.442 ' HA ' ' CD ' ' A' ' 56' ' ' GLN . 48.4 p -117.28 -26.29 6.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.4 mt -51.26 112.67 0.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -42.08 -47.95 4.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -50.84 -34.87 30.46 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.494 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.421 ' O ' ' N ' ' A' ' 58' ' ' LYS . 24.6 m170 -94.82 -61.29 1.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.77 0.319 . . . . 0.0 110.851 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.499 ' CG ' ' O ' ' A' ' 50' ' ' ILE . 11.6 mt-30 -37.09 -39.36 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.414 ' HB3' ' NZ ' ' A' ' 58' ' ' LYS . 27.3 mttm -62.89 -48.59 78.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.767 ' HZ2' ' N ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -56.9 -65.27 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.894 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 84.2 mt -46.95 -68.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.473 HD22 ' CB ' ' A' ' 45' ' ' VAL . 4.6 mm? -52.46 -58.37 6.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.891 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -50.21 -31.1 18.86 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.441 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.425 ' O ' ' CG2' ' A' ' 65' ' ' THR . 49.3 m -77.35 -32.36 55.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.863 0.363 . . . . 0.0 110.886 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.2 mt -73.73 -54.5 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.139 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -42.2 -33.2 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.456 HG22 ' N ' ' A' ' 66' ' ' MET . 8.8 t -87.56 -36.66 17.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.507 ' HE2' ' CD2' ' A' ' 13' ' ' TRP . 24.3 mtm -59.74 -36.74 77.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -82.92 -32.4 27.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -48.19 -39.75 21.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.426 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 14.8 pt20 -49.26 -37.6 24.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.426 ' N ' ' HG3' ' A' ' 69' ' ' GLN . 11.6 mt -55.93 -53.83 52.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 43.0 p -72.03 -34.07 68.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.128 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 37.7 m 63.21 -170.01 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.1 m 50.01 40.36 21.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.12 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -91.14 -60.69 1.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -88.55 -171.45 46.19 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.3 m -50.86 171.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.882 0.372 . . . . 0.0 110.859 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -47.53 105.33 0.11 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.473 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.03 -14.36 2.49 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.728 2.285 . . . . 0.0 112.312 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.2 t -150.89 136.52 17.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.9 t -91.34 143.66 26.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.519 179.979 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 t -82.94 -53.27 5.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.923 0.392 . . . . 0.0 110.903 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -154.5 130.85 10.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.82 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.83 164.93 34.5 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.473 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.5 m -93.15 150.0 20.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 0.0 110.852 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.2 m 60.27 42.19 15.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.0 38.69 0.42 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.527 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.491 ' CD1' HD23 ' A' ' 34' ' ' LEU . 4.2 pp -123.45 -179.52 4.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.922 0.391 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.53 ' O ' ' N ' ' A' ' 11' ' ' GLY . 5.0 t -106.53 147.09 29.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.165 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.426 ' CG1' HD12 ' A' ' 14' ' ' LEU . 76.4 t -35.04 -29.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.125 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.53 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -71.81 -46.8 35.9 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.523 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 9' ' ' THR . 1.5 t70 -53.6 -65.29 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.775 0.321 . . . . 0.0 110.869 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.578 ' CE3' ' HG ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -49.58 -58.88 4.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.578 ' HG ' ' CE3' ' A' ' 13' ' ' TRP . 51.4 mt -49.79 -45.26 49.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -50.79 -41.74 57.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.823 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.7 t -51.13 -44.79 61.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.2 pt -93.47 15.27 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.152 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 59.86 36.65 21.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.564 ' HE2' ' CD2' ' A' ' 55' ' ' HIS . 31.5 mmt -118.46 -0.91 11.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.419 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -49.72 -23.96 5.46 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.524 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -57.21 -28.79 63.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.34 . . . . 0.0 110.884 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.572 ' CD1' HG13 ' A' ' 50' ' ' ILE . 35.9 m-85 -90.32 -9.32 48.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.478 ' CG ' ' N ' ' A' ' 24' ' ' ASP . 11.2 ptm180 -42.77 -48.73 5.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.478 ' N ' ' CG ' ' A' ' 23' ' ' ARG . 1.2 t70 -51.49 -35.14 38.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.571 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 12.4 m-70 -62.31 -57.77 10.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.576 ' CG ' ' CD1' ' A' ' 48' ' ' LEU . 25.7 m-85 -45.18 -47.38 12.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.889 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.41 -34.87 69.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.061 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.2 -34.38 72.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.31 6.82 66.41 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.447 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.77 18.01 42.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.447 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.593 ' CE1' ' SD ' ' A' ' 40' ' ' MET . 84.4 m-85 -122.55 107.44 12.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.902 0.382 . . . . 0.0 110.901 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.0 t -119.82 -12.61 9.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.806 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.2 m -116.56 167.9 10.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.491 HD23 ' CD1' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -79.38 -42.5 25.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.885 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -48.36 -43.49 26.99 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.475 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.1 ptp -79.44 -26.14 41.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.843 0.354 . . . . 0.0 110.905 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.56 HG13 ' CZ3' ' A' ' 13' ' ' TRP . 3.4 t -70.98 -35.4 59.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.5 mp -59.68 -21.06 60.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.831 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.23 -17.56 28.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.593 ' SD ' ' CE1' ' A' ' 31' ' ' TYR . 13.0 mmm -56.34 176.29 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.462 ' O ' ' C ' ' A' ' 42' ' ' ALA . 0.8 OUTLIER -170.24 158.97 7.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.462 ' C ' ' O ' ' A' ' 41' ' ' ASN . . . -32.29 -48.65 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.073 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -56.08 -49.43 73.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.848 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 41' ' ' ASN . 54.4 m-20 -73.33 -56.5 4.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.464 HG21 ' CE ' ' A' ' 40' ' ' MET . 58.4 t -43.32 -53.09 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.465 ' CD ' HG22 ' A' ' 51' ' ' THR . 3.8 tmm_? -44.15 -46.19 8.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.47 -38.17 66.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.062 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.576 ' CD1' ' CG ' ' A' ' 26' ' ' PHE . 39.8 mt -58.59 -26.22 63.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 123.13 -26.79 6.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.477 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.572 HG13 ' CD1' ' A' ' 22' ' ' TYR . 2.9 mp -70.33 101.22 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.87 0.367 . . . . 0.0 111.094 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.48 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 36.4 p -119.07 -27.28 5.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.4 mt -50.68 116.29 1.87 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.462 ' HA ' ' CE ' ' A' ' 53' ' ' MET . 26.6 mmt -43.9 -48.38 8.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -52.82 -30.55 36.61 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.494 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.564 ' CD2' ' HE2' ' A' ' 19' ' ' MET . 23.1 m170 -96.87 -63.24 1.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.721 0.296 . . . . 0.0 110.871 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.48 ' NE2' ' HA ' ' A' ' 51' ' ' THR . 14.5 mt-30 -36.78 -46.21 0.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.933 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -59.7 -42.9 94.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.1 OUTLIER -65.28 -60.61 2.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.916 179.852 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 65.8 mt -51.09 -51.1 22.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.108 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.456 ' N ' HD12 ' A' ' 60' ' ' LEU . 11.0 mp -64.23 -57.36 9.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -54.92 -30.62 54.0 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.3 t -73.77 -29.0 61.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.352 . . . . 0.0 110.813 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' A' ' 66' ' ' MET . 58.2 mt -81.13 -48.92 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.122 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.421 ' HG3' ' N ' ' A' ' 65' ' ' THR . 1.0 OUTLIER -45.05 -30.97 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.474 HG23 ' N ' ' A' ' 66' ' ' MET . 14.9 t -89.47 -27.0 20.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.518 ' HE3' ' CD2' ' A' ' 13' ' ' TRP . 28.1 mtm -70.13 -34.62 73.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.3 ptt180 -87.53 -27.64 22.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.23 -44.28 61.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.461 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 18.9 pt20 -62.99 -43.6 98.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.948 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.461 ' N ' ' HG3' ' A' ' 69' ' ' GLN . 8.7 mp -52.47 -53.46 45.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 66.8 p -82.9 18.23 1.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.148 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.6 m 53.73 -170.15 0.05 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.3 t -88.86 8.64 28.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.189 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -48.61 -56.66 7.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -53.16 101.17 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.509 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.9 t -86.01 -50.99 6.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.912 0.386 . . . . 0.0 110.88 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 133.07 158.44 8.79 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.503 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.04 -39.34 70.18 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.769 2.313 . . . . 0.0 112.296 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 49.0 p -105.82 145.45 31.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.819 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 74.8 p -90.21 107.46 19.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.86 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.494 -179.962 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -72.68 -48.66 37.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.885 0.374 . . . . 0.0 110.868 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.2 t -119.4 107.98 14.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.11 85.85 1.54 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.507 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.0 t -95.84 136.64 36.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.927 0.394 . . . . 0.0 110.817 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 7' ' ' GLY . 24.9 p -60.28 147.66 39.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.834 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 37.44 88.18 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.506 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.503 ' CD1' HD21 ' A' ' 34' ' ' LEU . 4.5 pp -119.68 -179.73 3.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.899 0.381 . . . . 0.0 110.877 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 11' ' ' GLY . 8.8 t -106.32 147.75 28.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.136 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 49.9 t -38.22 -27.13 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -74.09 -48.38 15.65 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.503 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.95 -63.92 0.98 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.837 0.351 . . . . 0.0 110.857 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.609 ' CD1' ' SD ' ' A' ' 66' ' ' MET . 0.0 OUTLIER -51.22 -61.72 2.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.572 ' HG ' ' CE3' ' A' ' 13' ' ' TRP . 44.2 mt -46.53 -47.42 19.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -51.4 -38.81 55.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.1 t -52.99 -44.98 67.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.44 HG13 ' CG ' ' A' ' 19' ' ' MET . 28.5 pt -91.98 15.13 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.14 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 63.94 31.12 13.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.44 ' CG ' HG13 ' A' ' 17' ' ' ILE . 33.5 mmt -116.32 0.38 12.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.63 -14.33 2.43 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.462 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -68.06 -27.03 66.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.807 0.337 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.565 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 36.7 m-85 -90.65 -8.18 50.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.482 ' CG ' ' N ' ' A' ' 24' ' ' ASP . 6.3 ptp180 -43.03 -48.55 6.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.482 ' N ' ' CG ' ' A' ' 23' ' ' ARG . 0.9 OUTLIER -51.87 -34.23 39.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.565 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 12.2 m-70 -63.77 -53.84 44.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.619 ' CG ' ' CD1' ' A' ' 48' ' ' LEU . 30.8 m-85 -48.12 -49.57 31.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.59 -26.8 45.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.09 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.9 -33.61 34.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.149 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -83.51 11.52 55.54 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.22 14.93 58.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.519 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.67 ' CE2' ' CG ' ' A' ' 40' ' ' MET . 67.4 m-85 -122.31 100.16 6.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.849 0.357 . . . . 0.0 110.923 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.4 t -112.14 -12.38 13.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.848 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.6 m -122.27 172.38 8.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.853 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.503 HD21 ' CD1' ' A' ' 8' ' ' LEU . 0.4 OUTLIER -79.13 -41.62 28.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.911 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -44.77 -43.9 8.35 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.507 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.9 ptp -81.67 -14.8 56.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.839 0.352 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.562 HG12 ' CZ3' ' A' ' 13' ' ' TRP . 24.8 t -83.71 -35.97 11.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.467 HD13 ' CA ' ' A' ' 67' ' ' ARG . 3.4 mm? -65.84 -17.87 64.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.18 3.87 33.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.67 ' CG ' ' CE2' ' A' ' 31' ' ' TYR . 45.2 mtp -78.37 -178.75 5.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.48 ' O ' ' N ' ' A' ' 44' ' ' ASP . 0.4 OUTLIER -166.75 163.52 16.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 41' ' ' ASN . . . -35.53 -46.15 0.39 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.057 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.6 tp60 -54.41 -43.98 71.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 41' ' ' ASN . 75.7 m-20 -77.74 -51.25 10.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.3 t -51.83 -54.28 13.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.473 ' CD ' HG22 ' A' ' 51' ' ' THR . 4.9 tmm_? -46.18 -43.75 15.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.68 -32.7 63.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.619 ' CD1' ' CG ' ' A' ' 26' ' ' PHE . 24.5 mt -64.8 -24.51 67.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 121.08 -28.37 6.11 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.51 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.447 HG13 ' CD1' ' A' ' 22' ' ' TYR . 2.4 mp -67.6 100.14 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.888 0.375 . . . . 0.0 111.099 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.473 HG22 ' CD ' ' A' ' 46' ' ' ARG . 82.5 p -118.91 -23.94 6.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.158 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 55' ' ' HIS . 2.5 mt -49.97 108.18 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 38.4 mmt -40.22 -46.83 2.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -53.92 -36.6 56.07 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.529 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.487 ' O ' ' N ' ' A' ' 58' ' ' LYS . 19.7 m170 -92.28 -59.07 2.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.725 0.298 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.47 ' NE2' ' HA ' ' A' ' 51' ' ' THR . 10.5 mt-30 -35.92 -41.61 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 61' ' ' GLY . 43.3 mttt -58.86 -44.9 91.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.5 OUTLIER -58.84 -64.03 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.955 179.834 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.9 mt -52.04 -65.24 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.143 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.1 mt -55.47 -56.52 19.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 57' ' ' LYS . . . -47.69 -46.12 24.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.45 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' A' ' 66' ' ' MET . 3.2 t -63.51 -49.58 72.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.818 0.342 . . . . 0.0 110.847 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.534 ' O ' ' N ' ' A' ' 66' ' ' MET . 96.6 mt -58.12 -60.08 2.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.132 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.483 ' HG3' ' N ' ' A' ' 65' ' ' THR . 0.6 OUTLIER -32.32 -37.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.483 ' N ' ' HG3' ' A' ' 64' ' ' GLN . 9.8 t -98.58 -30.08 12.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.609 ' SD ' ' CD1' ' A' ' 13' ' ' TRP . 2.2 ttp -63.38 -20.38 65.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.467 ' CA ' HD13 ' A' ' 38' ' ' LEU . 1.7 ptm180 -94.24 -37.72 11.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -44.61 -47.25 10.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -72.72 -37.47 67.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.431 ' CD2' ' O ' ' A' ' 66' ' ' MET . 4.1 mm? -64.87 179.29 0.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 38.6 p 50.28 29.7 3.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.185 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.5 m -98.42 155.14 17.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.1 t -66.14 -43.11 88.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.161 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -91.33 142.4 27.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 147.46 66.77 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 11.0 m -84.99 -41.81 15.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.845 0.355 . . . . 0.0 110.849 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 98.5 76.57 1.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.05 120.98 8.01 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.763 2.309 . . . . 0.0 112.311 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 33.2 t 52.42 47.2 25.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.4 t -99.71 124.08 44.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.82 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.485 179.996 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.4 p -94.29 176.12 6.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.86 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.6 t -141.65 129.5 21.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.61 -59.46 0.69 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.533 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.6 m -96.3 134.37 39.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.954 0.407 . . . . 0.0 110.822 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.4 t -115.57 -39.87 3.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.78 50.21 2.95 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.457 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.486 ' CD1' ' HG ' ' A' ' 34' ' ' LEU . 4.4 pp -88.53 -179.28 6.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.941 0.4 . . . . 0.0 110.895 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 11' ' ' GLY . 9.8 t -106.95 146.58 30.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.179 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.448 ' CG1' HD11 ' A' ' 14' ' ' LEU . 69.2 t -35.91 -30.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.111 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -70.48 -52.19 17.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -47.91 -65.29 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.815 0.341 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.573 ' CZ3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -51.5 -59.9 3.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.561 ' HG ' ' CE3' ' A' ' 13' ' ' TRP . 41.7 mt -49.51 -35.28 19.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -59.75 -39.71 85.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.1 t -55.29 -42.35 73.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.4 pt -89.58 14.62 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.115 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.5 mmt85 57.65 30.12 18.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.471 ' CE ' ' HB3' ' A' ' 55' ' ' HIS . 26.4 mmm -115.04 4.02 14.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -51.34 -17.79 3.02 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.457 ' CZ ' ' HB2' ' A' ' 21' ' ' ARG . 2.4 ptm85 -62.48 -25.09 67.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.822 0.344 . . . . 0.0 110.863 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.583 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 29.1 m-85 -93.63 -10.15 35.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.481 ' CG ' ' N ' ' A' ' 24' ' ' ASP . 19.7 ptt-85 -42.53 -48.62 5.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.838 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.481 ' N ' ' CG ' ' A' ' 23' ' ' ARG . 8.2 p-10 -52.84 -34.5 54.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.583 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 11.6 m-70 -62.16 -56.38 19.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.653 ' CD1' ' CD1' ' A' ' 48' ' ' LEU . 16.0 m-85 -44.9 -47.11 11.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.825 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.13 -32.57 62.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.47 -36.29 60.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.59 7.02 51.11 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.517 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.47 20.34 38.28 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.521 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.576 ' CZ ' ' SD ' ' A' ' 40' ' ' MET . 86.2 m-85 -122.48 100.07 6.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.906 0.384 . . . . 0.0 110.868 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.0 m -115.45 8.47 15.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.1 m -146.12 168.41 21.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.854 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.486 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -78.18 -45.36 23.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -43.4 -31.41 1.54 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.429 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.413 ' O ' ' CG ' ' A' ' 39' ' ' ARG . 6.9 ptp -95.11 -24.2 16.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.843 0.354 . . . . 0.0 110.852 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.573 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 40.1 t -71.73 -40.34 69.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.154 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.481 HD21 ' N ' ' A' ' 38' ' ' LEU . 2.4 mm? -53.38 -24.82 13.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.413 ' CG ' ' O ' ' A' ' 36' ' ' MET . 3.7 ptp180 -96.23 19.94 11.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.576 ' SD ' ' CZ ' ' A' ' 31' ' ' TYR . 21.8 mmm -86.63 169.56 12.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' A' ' 40' ' ' MET . 39.8 m-80 -162.45 162.5 27.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.437 ' N ' HD21 ' A' ' 60' ' ' LEU . . . -36.46 -42.65 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -59.83 -51.46 69.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -69.52 -55.0 11.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.459 HG21 ' CD2' ' A' ' 60' ' ' LEU . 97.5 t -48.72 -56.0 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.1 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.47 ' NE ' HG23 ' A' ' 51' ' ' THR . 22.5 tpt85 -48.42 -45.2 35.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.85 -36.17 62.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.065 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.653 ' CD1' ' CD1' ' A' ' 26' ' ' PHE . 24.4 mt -61.21 -22.32 64.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.953 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 122.42 -30.64 5.11 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.462 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.579 HG13 ' CD1' ' A' ' 22' ' ' TYR . 2.2 mp -63.99 102.25 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.925 0.393 . . . . 0.0 111.114 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.47 HG23 ' NE ' ' A' ' 46' ' ' ARG . 1.0 OUTLIER -117.57 -25.96 6.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 55' ' ' HIS . 3.4 mm? -50.04 109.86 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 31.8 mmt -40.12 -51.73 2.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -52.24 -34.34 40.27 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.524 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.517 ' O ' ' N ' ' A' ' 58' ' ' LYS . 5.7 m170 -90.96 -61.81 1.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.76 0.314 . . . . 0.0 110.847 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.503 ' CG ' ' O ' ' A' ' 50' ' ' ILE . 16.4 mt-30 -36.46 -33.68 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 55' ' ' HIS . 7.8 mtpm? -69.26 -43.97 72.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.517 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -56.97 -63.62 1.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.893 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 61.7 mt -52.83 -62.8 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.101 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.459 ' CD2' HG21 ' A' ' 45' ' ' VAL . 51.9 mt -53.01 -60.49 3.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.45 -30.43 41.33 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.6 t -73.54 -30.22 62.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.814 0.34 . . . . 0.0 110.844 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 79.5 mt -81.4 -54.58 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.131 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -42.11 -42.06 2.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.7 t -78.8 -32.56 46.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 8.2 mtm -68.79 -32.88 72.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.8 ptt180 -94.49 -30.52 14.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.11 -41.42 64.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.441 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 10.4 pt20 -61.39 -44.27 97.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.441 ' N ' ' HG3' ' A' ' 69' ' ' GLN . 3.0 mm? -51.01 -60.05 3.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.448 HG22 ' N ' ' A' ' 72' ' ' SER . 7.5 t -62.4 -40.77 97.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.521 ' O ' ' CG2' ' A' ' 73' ' ' THR . 1.9 t -50.18 162.69 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.521 ' CG2' ' O ' ' A' ' 72' ' ' SER . 9.7 t 48.31 18.08 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.166 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -150.73 146.91 26.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.61 159.4 2.22 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.487 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 46.3 t -161.77 105.84 1.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.892 0.377 . . . . 0.0 110.873 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -136.96 -156.04 7.2 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.466 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.05 144.05 38.63 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.673 2.249 . . . . 0.0 112.339 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 86.5 p -78.21 113.31 16.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.0 m -119.25 111.19 17.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.847 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.524 179.977 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.3 p 50.21 41.78 24.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.857 0.36 . . . . 0.0 110.862 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.3 p -48.92 -43.31 39.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.844 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.75 -149.08 31.14 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.458 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 t -96.13 153.63 17.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.913 0.387 . . . . 0.0 110.839 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 t -49.12 -69.94 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.882 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.6 -52.37 0.14 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.49 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.52 ' CD2' ' HG ' ' A' ' 34' ' ' LEU . 0.4 OUTLIER -86.07 178.64 7.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.957 0.408 . . . . 0.0 110.907 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.8 t -93.6 150.69 20.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 70.4 t -43.88 -38.04 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.074 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.47 ' N ' ' HG3' ' A' ' 23' ' ' ARG . . . -65.77 -42.74 95.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.493 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.34 -59.42 5.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.814 0.34 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.601 ' CD1' ' SD ' ' A' ' 66' ' ' MET . 0.1 OUTLIER -54.73 -52.66 61.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.599 ' HG ' ' CE3' ' A' ' 13' ' ' TRP . 32.9 mt -55.28 -52.88 62.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -44.71 -43.19 8.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.8 t -51.28 -46.15 62.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.825 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.433 HG13 ' CG ' ' A' ' 19' ' ' MET . 42.0 pt -90.44 14.9 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.078 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 62.9 34.66 14.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.433 ' CG ' HG13 ' A' ' 17' ' ' ILE . 30.3 mmt -119.96 -0.22 10.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.441 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -52.6 -17.34 4.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.9 ptp180 -66.28 -21.02 66.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.778 0.323 . . . . 0.0 110.871 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.584 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 44.1 m-85 -92.64 -12.64 31.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.47 ' HG3' ' N ' ' A' ' 11' ' ' GLY . 16.3 ttt-85 -34.52 -61.7 0.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -41.45 -40.71 1.85 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.584 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 16.2 m-70 -57.46 -60.96 2.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.571 ' CD2' HD12 ' A' ' 48' ' ' LEU . 29.5 m-85 -44.95 -50.1 10.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.29 -31.5 61.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.077 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.78 -35.9 57.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.099 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.21 5.46 59.45 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.491 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.62 20.07 35.71 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.467 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.643 ' CE2' ' CG ' ' A' ' 40' ' ' MET . 24.8 m-85 -122.02 106.49 11.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.906 0.384 . . . . 0.0 110.912 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 83.5 p -115.91 -11.32 11.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.852 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.44 173.47 10.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.52 ' HG ' ' CD2' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -74.34 -43.05 58.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -42.59 -50.85 5.71 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.518 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -31.06 64.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.836 0.35 . . . . 0.0 110.848 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.408 HG11 ' CH2' ' A' ' 13' ' ' TRP . 12.6 t -72.3 -26.1 24.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.491 ' N ' HD12 ' A' ' 38' ' ' LEU . 4.8 mp -74.81 -24.27 58.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.422 ' NH1' ' HB3' ' A' ' 39' ' ' ARG . 1.8 ptp180 -96.99 18.08 15.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.897 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.643 ' CG ' ' CE2' ' A' ' 31' ' ' TYR . 67.3 mtp -95.74 -179.79 4.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.495 ' O ' ' N ' ' A' ' 43' ' ' GLN . 0.6 OUTLIER -168.22 164.05 13.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 41' ' ' ASN . . . -32.91 -34.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 41' ' ' ASN . 77.1 mm-40 -64.29 -53.58 46.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 41' ' ' ASN . 47.8 m-20 -69.31 -58.61 3.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.4 t -45.04 -53.12 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -47.21 -38.69 12.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.9 -35.76 81.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.571 HD12 ' CD2' ' A' ' 26' ' ' PHE . 37.6 mt -58.71 -24.58 61.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 121.36 -24.05 7.41 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.497 ' O ' ' CG ' ' A' ' 56' ' ' GLN . 2.0 mp -74.11 100.37 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.922 0.391 . . . . 0.0 111.157 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.443 ' HA ' ' CD ' ' A' ' 56' ' ' GLN . 1.1 p -116.23 -24.39 8.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 mp -50.65 109.9 0.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.437 ' O ' ' CG ' ' A' ' 57' ' ' LYS . 10.4 mmm -41.94 -45.04 3.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.11 -35.65 54.95 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.501 ' O ' ' N ' ' A' ' 58' ' ' LYS . 25.5 m170 -94.26 -59.54 1.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.777 0.323 . . . . 0.0 110.861 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.497 ' CG ' ' O ' ' A' ' 50' ' ' ILE . 11.1 mt-30 -36.33 -34.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 53' ' ' MET . 10.3 mmmt -67.84 -44.95 76.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.2 OUTLIER -58.91 -61.17 2.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 179.801 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.429 HD11 ' CG2' ' A' ' 50' ' ' ILE . 67.3 mt -51.3 -63.29 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.6 mt -55.12 -59.27 5.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -47.83 -40.35 18.81 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.446 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.9 m -71.71 -33.02 68.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.853 0.359 . . . . 0.0 110.838 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.489 ' O ' ' N ' ' A' ' 66' ' ' MET . 81.7 mt -72.62 -54.3 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.149 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.473 ' HG3' ' N ' ' A' ' 65' ' ' THR . 1.7 pp0? -42.24 -34.52 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.915 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.473 ' N ' ' HG3' ' A' ' 64' ' ' GLN . 13.9 t -87.2 -25.66 23.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.113 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.601 ' SD ' ' CD1' ' A' ' 13' ' ' TRP . 12.4 mtp -77.22 -31.83 55.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.412 ' CA ' ' HG ' ' A' ' 38' ' ' LEU . 5.1 ptm180 -85.62 -31.0 22.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.97 -36.72 65.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.076 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -50.89 -34.73 29.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 30.1 mt -60.93 -69.48 0.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.0 t -57.07 -45.61 83.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.9 t -50.66 153.03 1.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.828 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 56.1 m -57.77 -56.09 26.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.161 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -92.97 138.72 31.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 122.0 39.71 0.55 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.469 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 t -99.39 -58.77 1.86 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.932 0.396 . . . . 0.0 110.863 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 125.15 150.89 7.89 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.549 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.12 -39.28 71.17 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.73 2.287 . . . . 0.0 112.327 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 24.3 p -155.9 174.36 15.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 40.5 t -84.7 127.35 34.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.824 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.496 179.982 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.3 p -104.37 157.29 17.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.909 0.385 . . . . 0.0 110.85 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.7 m -115.16 110.35 19.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.06 -61.22 1.42 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.506 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -112.02 127.19 55.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.838 0.351 . . . . 0.0 110.865 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 t -101.73 114.14 27.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.76 98.91 2.16 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.538 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.495 ' CD1' ' HG ' ' A' ' 34' ' ' LEU . 4.5 pp -111.57 -178.69 3.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.933 0.396 . . . . 0.0 110.907 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 11' ' ' GLY . 13.6 t -105.04 148.51 26.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.439 ' CG1' HD13 ' A' ' 14' ' ' LEU . 75.6 t -40.4 -24.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.109 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -77.3 -48.4 8.24 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.546 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -52.12 -57.66 8.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.8 0.333 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.595 ' CE3' ' HG ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -57.82 -61.14 2.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.595 ' HG ' ' CE3' ' A' ' 13' ' ' TRP . 39.4 mt -46.89 -44.88 20.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -49.3 -44.87 44.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.0 t -51.33 -45.6 62.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.46 HG13 ' CG ' ' A' ' 19' ' ' MET . 34.6 pt -89.54 12.55 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.9 mmp_? 59.99 36.69 21.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.46 ' CG ' HG13 ' A' ' 17' ' ' ILE . 31.3 mmt -118.94 -1.81 10.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.844 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.458 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -50.91 -19.55 3.58 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -61.42 -26.66 68.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.35 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.574 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 29.2 m-85 -90.43 -10.53 43.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 22' ' ' TYR . 7.8 ttt-85 -36.41 -60.09 0.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -42.14 -39.35 1.97 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.574 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 15.1 m-70 -58.72 -60.87 3.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.568 ' CD1' HD12 ' A' ' 48' ' ' LEU . 21.5 m-85 -46.08 -48.13 17.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.99 -34.6 60.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.1 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.33 -39.34 65.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.09 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.53 2.1 40.6 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.471 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.26 19.08 31.48 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.468 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.536 ' CD1' ' SD ' ' A' ' 40' ' ' MET . 72.2 m-85 -122.4 102.05 7.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.877 0.37 . . . . 0.0 110.908 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.424 ' C ' HG23 ' A' ' 10' ' ' VAL . 12.0 t -113.8 -11.6 12.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.9 m -120.33 167.32 12.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.495 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -76.92 -45.26 28.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.94 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -44.18 -46.36 8.14 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 6.7 ptp -75.75 -29.89 59.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.815 0.34 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.59 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 11.1 t -69.34 -30.71 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.447 ' CD2' HD13 ' A' ' 70' ' ' LEU . 5.4 mp -67.87 -23.01 65.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.4 ptp85 -96.29 15.24 21.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.536 ' SD ' ' CD1' ' A' ' 31' ' ' TYR . 58.0 mtp -97.61 164.86 12.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.872 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 42' ' ' ALA . 1.7 m-80 -149.58 167.56 26.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 41' ' ' ASN . . . -36.04 -47.19 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.102 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -50.7 -48.55 58.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -73.57 -56.06 5.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.51 ' CG2' ' CD2' ' A' ' 60' ' ' LEU . 70.3 t -46.68 -54.68 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.425 ' CD ' HG23 ' A' ' 51' ' ' THR . 4.3 tmm_? -43.09 -46.48 5.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.62 -34.33 64.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.568 HD12 ' CD1' ' A' ' 26' ' ' PHE . 48.5 mt -60.52 -25.78 66.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 122.2 -27.85 5.99 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.47 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.558 HG13 ' CD1' ' A' ' 22' ' ' TYR . 2.0 mp -70.82 104.65 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.865 0.365 . . . . 0.0 111.123 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.464 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 81.2 p -119.97 -17.31 8.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.532 ' O ' ' C ' ' A' ' 53' ' ' MET . 5.3 mp -50.06 99.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.532 ' C ' ' O ' ' A' ' 52' ' ' LEU . 19.8 mmt -27.54 -54.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.427 ' O ' ' HG2' ' A' ' 58' ' ' LYS . . . -51.44 -62.86 5.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.47 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.49 ' O ' ' N ' ' A' ' 58' ' ' LYS . 44.9 m170 -61.09 -52.94 62.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.761 0.315 . . . . 0.0 110.839 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.464 ' NE2' ' HA ' ' A' ' 51' ' ' THR . 7.9 mt-30 -43.56 -30.64 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -79.52 -31.32 42.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -67.09 -55.43 14.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 179.844 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.402 ' CG2' HD11 ' A' ' 63' ' ' ILE . 88.6 mt -58.42 -61.32 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.087 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.51 ' CD2' ' CG2' ' A' ' 45' ' ' VAL . 4.0 mm? -58.92 -60.67 3.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -41.5 -37.91 1.95 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.448 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.437 ' O ' ' SD ' ' A' ' 66' ' ' MET . 68.3 m -78.93 -28.24 43.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.86 0.362 . . . . 0.0 110.849 -179.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.466 ' N ' ' O ' ' A' ' 60' ' ' LEU . 68.5 mt -74.64 -50.25 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.186 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.409 ' HG2' ' N ' ' A' ' 65' ' ' THR . 3.2 pt20 -49.37 -41.63 39.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.409 ' N ' ' HG2' ' A' ' 64' ' ' GLN . 3.8 t -82.73 -36.44 25.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.493 ' SD ' ' NE1' ' A' ' 13' ' ' TRP . 9.4 mtp -54.79 -39.02 68.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -84.83 -35.98 21.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.62 -41.93 64.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.087 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -78.84 -39.72 34.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.447 HD13 ' CD2' ' A' ' 38' ' ' LEU . 22.6 mt -78.55 -179.58 6.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.437 ' HG1' ' N ' ' A' ' 72' ' ' SER . 49.7 p -119.52 -38.28 3.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.173 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.437 ' N ' ' HG1' ' A' ' 71' ' ' THR . 3.4 m 60.62 42.59 13.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 92.5 m -93.45 106.62 18.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.127 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -90.08 -50.26 6.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 131.6 -46.45 1.07 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.1 m -80.49 148.56 30.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 0.0 110.823 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -132.41 -167.28 11.75 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.508 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.08 -177.09 0.02 OUTLIER 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.731 2.288 . . . . 0.0 112.307 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 49.9 m -150.3 101.63 3.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 28.2 t -119.66 109.07 15.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.847 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.484 -179.986 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 t 61.4 40.63 13.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.859 0.361 . . . . 0.0 110.85 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 t -136.16 127.54 28.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.846 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.98 63.91 1.99 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.3 p -65.35 135.82 55.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.903 0.382 . . . . 0.0 110.854 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.4 p -101.88 152.79 20.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.874 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.02 44.73 4.06 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.496 ' CD1' ' HG ' ' A' ' 34' ' ' LEU . 4.4 pp -118.69 -176.09 3.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.909 0.385 . . . . 0.0 110.904 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.522 ' O ' ' N ' ' A' ' 11' ' ' GLY . 8.8 t -110.79 148.51 32.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.161 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.471 ' CG1' HD11 ' A' ' 14' ' ' LEU . 55.0 t -36.02 -28.24 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.16 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -74.17 -49.28 12.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.494 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.428 ' CB ' ' HB2' ' A' ' 8' ' ' LEU . 4.1 t0 -49.87 -65.16 0.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 110.879 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.493 ' CE3' ' HG ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -50.72 -62.14 1.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.947 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.493 ' HG ' ' CE3' ' A' ' 13' ' ' TRP . 54.2 mt -47.55 -39.69 17.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -53.48 -39.69 64.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.4 m -56.87 -37.23 71.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.832 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.406 ' CG1' ' HG2' ' A' ' 19' ' ' MET . 15.5 pt -97.13 14.37 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.124 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? 54.86 28.85 10.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.406 ' HG2' ' CG1' ' A' ' 17' ' ' ILE . 23.1 mmm -110.61 5.18 20.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -51.63 -18.6 4.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.523 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.426 ' NH1' ' HB2' ' A' ' 21' ' ' ARG . 0.5 OUTLIER -62.02 -20.41 63.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 110.843 -179.883 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.577 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 41.5 m-85 -94.67 -11.01 30.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.987 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.8 ttt180 -41.52 -55.0 3.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.84 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -44.59 -34.87 2.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.577 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 12.9 m-70 -64.08 -60.8 2.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.589 ' CD2' HD13 ' A' ' 48' ' ' LEU . 33.2 m-85 -45.57 -43.43 12.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.86 -30.82 66.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.082 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.01 -40.71 53.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.93 1.8 29.46 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.454 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.74 22.57 20.68 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.612 ' CE1' ' SD ' ' A' ' 40' ' ' MET . 94.6 m-85 -119.76 105.51 11.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.91 0.386 . . . . 0.0 110.916 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.6 t -112.43 -11.38 13.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.846 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 67.2 m -132.99 172.25 12.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.837 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.496 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -76.88 -34.79 57.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -44.62 -47.34 8.98 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.423 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.7 -33.48 40.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.842 0.353 . . . . 0.0 110.869 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.471 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 27.3 t -56.47 -34.14 40.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.458 ' CD2' ' O ' ' A' ' 34' ' ' LEU . 2.1 mm? -76.66 -0.53 23.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.959 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -103.58 -18.58 14.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.612 ' SD ' ' CE1' ' A' ' 31' ' ' TYR . 0.4 OUTLIER -93.9 174.5 7.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.915 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.461 ' O ' ' C ' ' A' ' 42' ' ' ALA . 55.8 t30 -160.69 -179.98 8.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.488 ' N ' HD13 ' A' ' 60' ' ' LEU . . . -33.01 -39.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.081 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 41' ' ' ASN . 41.8 mt-30 -58.33 -54.08 51.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 41' ' ' ASN . 54.1 m-20 -74.77 -45.14 45.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.469 HG22 ' CD1' ' A' ' 60' ' ' LEU . 59.3 t -50.28 -54.36 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.081 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -42.75 -42.24 3.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.95 -34.87 75.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.061 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.589 HD13 ' CD2' ' A' ' 26' ' ' PHE . 73.6 mt -58.53 -29.75 66.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 122.66 -17.54 8.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.51 HG13 ' CD1' ' A' ' 22' ' ' TYR . 2.8 mp -79.61 102.97 6.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.859 0.361 . . . . 0.0 111.16 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.479 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 72.9 p -119.91 -21.85 6.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 55' ' ' HIS . 2.7 mp -49.97 103.64 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.455 ' C ' ' O ' ' A' ' 52' ' ' LEU . 30.0 mmt -33.52 -53.48 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -51.05 -42.79 48.88 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.474 ' N ' ' O ' ' A' ' 52' ' ' LEU . 12.9 m170 -81.79 -60.5 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.775 0.321 . . . . 0.0 110.846 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.479 ' NE2' ' HA ' ' A' ' 51' ' ' THR . 12.8 mt-30 -36.56 -34.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -68.88 -47.28 66.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.469 ' N ' ' HD2' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -56.32 -63.14 1.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 179.875 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 91.0 mt -49.62 -70.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.123 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.488 HD13 ' N ' ' A' ' 42' ' ' ALA . 3.6 mm? -52.84 -60.2 3.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -40.32 -36.65 0.98 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.526 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.5 m -78.07 -36.72 47.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 0.0 110.845 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.421 ' N ' ' O ' ' A' ' 60' ' ' LEU . 67.0 mt -65.65 -51.95 56.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.157 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -49.76 -39.54 38.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.471 HG22 ' N ' ' A' ' 66' ' ' MET . 10.4 t -82.67 -24.5 33.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.471 ' N ' HG22 ' A' ' 65' ' ' THR . 18.0 mtm -72.81 -29.21 63.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.4 ptt85 -89.52 -36.92 15.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -48.46 -44.39 35.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -56.23 -30.52 62.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 22.9 mt -84.05 -56.9 3.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.6 p -46.58 -44.05 17.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.164 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 56.8 m -68.39 110.15 3.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 75.5 p -110.81 167.55 10.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.115 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -37.85 -43.87 0.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 138.37 -104.59 0.45 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.439 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.9 m 57.53 42.79 23.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 110.853 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.23 95.22 1.08 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.473 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.1 118.92 5.03 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.753 2.302 . . . . 0.0 112.273 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 34.4 t -117.95 110.92 18.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.843 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.2 t -107.87 112.17 24.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.811 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.486 -179.989 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.549 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.5 pp . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.908 0.385 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.48 HG23 ' H ' ' A' ' 12' ' ' ASP . 9.6 t -105.28 148.92 26.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.767 HG12 HD12 ' A' ' 14' ' ' LEU . 74.6 t -39.97 -25.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.094 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -76.71 -52.46 5.9 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.451 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.48 ' H ' HG23 ' A' ' 9' ' ' THR . 4.0 m-20 -47.93 -58.08 4.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.853 0.358 . . . . 0.0 110.854 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.665 ' CZ3' HG11 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -56.96 -63.44 1.21 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.767 HD12 HG12 ' A' ' 10' ' ' VAL . 37.8 mt -44.84 -41.27 6.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -53.63 -39.97 65.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.9 m -51.85 -41.19 61.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.607 HD12 ' HB3' ' A' ' 58' ' ' LYS . 25.7 pt -98.14 12.7 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.8 mtt85 60.7 38.42 18.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.429 ' CG ' HG13 ' A' ' 17' ' ' ILE . 31.8 mmt -118.72 -1.73 11.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.473 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -50.27 -20.47 3.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.516 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -58.75 -25.53 63.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.35 . . . . 0.0 110.855 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.512 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 38.6 m-85 -90.99 -11.6 38.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 22' ' ' TYR . 11.9 ttt-85 -34.68 -63.22 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.495 ' OD1' ' CD2' ' A' ' 25' ' ' HIS . 2.9 p30 -37.21 -41.68 0.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.834 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.512 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 19.1 m-70 -57.04 -57.86 10.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.579 ' CG ' ' CD1' ' A' ' 48' ' ' LEU . 25.7 m-85 -45.29 -49.84 12.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.28 -31.75 45.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.26 -36.69 46.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.49 5.07 38.85 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.466 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.81 20.12 34.98 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.474 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.703 ' CE2' ' CG ' ' A' ' 40' ' ' MET . 85.1 m-85 -122.01 107.23 11.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 110.904 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.6 t -112.96 -11.46 13.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.506 ' O ' HG23 ' A' ' 37' ' ' VAL . 13.5 m -133.31 175.44 9.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.86 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.488 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -80.9 -36.7 30.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -40.82 -35.65 0.96 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.77 -34.65 13.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.665 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 51.6 t -59.47 -35.24 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.912 HD11 ' HB3' ' A' ' 66' ' ' MET . 4.1 mm? -66.24 -24.32 66.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -102.01 19.91 17.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.703 ' CG ' ' CE2' ' A' ' 31' ' ' TYR . 36.6 mtp -95.56 174.34 7.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.463 ' O ' ' N ' ' A' ' 44' ' ' ASP . 0.6 OUTLIER -161.14 169.51 22.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.454 ' N ' HD21 ' A' ' 60' ' ' LEU . . . -36.78 -45.56 0.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.087 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -54.9 -43.16 72.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 41' ' ' ASN . 5.1 m-20 -77.92 -51.21 10.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 87.8 t -52.6 -54.39 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -47.17 -43.82 21.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.03 -36.7 70.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.579 ' CD1' ' CG ' ' A' ' 26' ' ' PHE . 18.5 mt -60.55 -22.9 64.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.959 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 119.51 -27.37 6.94 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.777 ' H ' HD12 ' A' ' 50' ' ' ILE . 2.5 mp -69.63 102.71 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.926 0.393 . . . . 0.0 111.072 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.469 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 52.2 p -118.01 -27.5 6.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.137 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.414 HD12 ' H ' ' A' ' 52' ' ' LEU . 5.2 mp -50.09 112.49 0.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.439 ' HA ' ' CE ' ' A' ' 53' ' ' MET . 11.8 mmm -43.13 -44.51 5.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -53.09 -34.66 47.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.484 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.495 ' O ' ' N ' ' A' ' 58' ' ' LYS . 13.0 m170 -96.92 -58.54 2.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.763 0.316 . . . . 0.0 110.833 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.469 ' NE2' ' HA ' ' A' ' 51' ' ' THR . 10.4 mt-30 -36.68 -40.86 0.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -62.74 -43.42 98.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.607 ' HB3' HD12 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -59.17 -64.81 0.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.903 179.89 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.603 HD12 HG21 ' A' ' 50' ' ' ILE . 72.0 mt -49.25 -64.4 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.454 HD21 ' N ' ' A' ' 42' ' ' ALA . 16.9 mt -52.3 -57.87 8.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -56.08 -28.9 54.84 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.542 ' HB2' HG21 ' A' ' 17' ' ' ILE . 29.6 t -77.13 -27.92 54.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.847 0.356 . . . . 0.0 110.858 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 84.3 mt -84.48 -48.29 16.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -49.54 -29.45 6.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.892 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 15.3 t -90.04 -30.0 18.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.912 ' HB3' HD11 ' A' ' 38' ' ' LEU . 11.7 mtm . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.571 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.4 pp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.944 0.402 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 11' ' ' GLY . 12.6 t -105.73 148.63 27.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.157 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.837 HG12 HD12 ' A' ' 14' ' ' LEU . 92.3 t -39.29 -25.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.157 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -76.42 -49.14 8.45 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.485 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.423 ' H ' HG23 ' A' ' 9' ' ' THR . 0.9 OUTLIER -51.16 -57.51 8.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.818 0.342 . . . . 0.0 110.89 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.599 ' CD1' ' SD ' ' A' ' 66' ' ' MET . 0.1 OUTLIER -58.45 -63.06 1.41 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.837 HD12 HG12 ' A' ' 10' ' ' VAL . 47.0 mt -44.82 -46.57 10.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.96 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -48.66 -44.56 37.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.1 t -51.98 -44.0 63.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.831 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.746 HG21 ' OG ' ' A' ' 62' ' ' SER . 40.2 pt -90.47 13.73 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.11 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 61.64 33.67 18.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.427 ' C ' ' HB3' ' A' ' 14' ' ' LEU . 28.4 mmt -119.48 -1.21 10.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.466 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -52.82 -21.48 9.92 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.446 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -63.14 -22.1 66.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.812 0.339 . . . . 0.0 110.876 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.541 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 36.4 m-85 -92.29 -10.09 39.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.929 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -38.27 -59.38 0.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -40.19 -38.13 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.828 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.541 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 16.1 m-70 -60.55 -59.95 4.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.599 ' CG ' HD13 ' A' ' 48' ' ' LEU . 34.2 m-85 -45.3 -47.14 13.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.864 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.77 -30.56 57.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.095 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.95 -36.8 56.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -77.96 6.44 48.74 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.481 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.18 14.6 57.27 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.518 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.548 ' CG ' ' SD ' ' A' ' 40' ' ' MET . 72.1 m-85 -119.99 103.4 9.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.928 0.394 . . . . 0.0 110.926 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 72.3 p -119.69 1.77 11.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.839 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.489 ' O ' HG23 ' A' ' 37' ' ' VAL . 8.7 m -132.8 167.46 20.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.485 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -79.89 -41.43 26.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -49.55 -35.73 22.86 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.491 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 7.6 ptp -88.88 -32.37 17.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.55 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 3.6 t -63.53 -36.53 76.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.3 mt -61.06 -15.28 30.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -98.1 -6.22 32.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.548 ' SD ' ' CG ' ' A' ' 31' ' ' TYR . 48.4 mtp -76.06 172.19 13.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 42' ' ' ALA . 66.9 m-80 -161.89 168.14 23.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.446 ' N ' HD21 ' A' ' 60' ' ' LEU . . . -33.66 -45.89 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.061 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -55.65 -53.61 54.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.97 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -69.69 -54.31 14.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 79.9 t -47.5 -54.21 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.417 ' C ' ' CD ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -47.31 -44.95 23.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.916 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.71 -32.87 65.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.599 HD13 ' CG ' ' A' ' 26' ' ' PHE . 51.9 mt -63.63 -23.65 67.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 121.25 -28.2 6.12 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.519 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.819 HG21 HD12 ' A' ' 59' ' ' ILE . 2.9 mp -68.04 102.53 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.909 0.385 . . . . 0.0 111.15 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.48 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 59.5 p -119.65 -23.26 6.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.133 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 53' ' ' MET . 3.8 mm? -50.25 113.61 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.877 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.497 ' O ' ' CG ' ' A' ' 57' ' ' LYS . 0.1 OUTLIER -35.85 -52.99 0.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.401 ' O ' ' HD3' ' A' ' 58' ' ' LYS . . . -54.92 -48.22 68.16 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.464 ' CD2' ' N ' ' A' ' 55' ' ' HIS . 7.2 m170 -70.24 -60.77 2.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.774 0.321 . . . . 0.0 110.846 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.494 ' CG ' ' O ' ' A' ' 50' ' ' ILE . 17.5 mt-30 -46.4 -40.85 12.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.497 ' CG ' ' O ' ' A' ' 53' ' ' MET . 22.5 mmtt -62.48 -48.59 78.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.431 ' HD2' ' N ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -58.62 -59.52 5.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.878 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.819 HD12 HG21 ' A' ' 50' ' ' ILE . 63.5 mt -54.1 -65.29 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.446 HD21 ' N ' ' A' ' 42' ' ' ALA . 59.2 mt -52.52 -59.62 4.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -54.26 -29.28 45.28 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.746 ' OG ' HG21 ' A' ' 17' ' ' ILE . 37.9 m -80.05 -27.36 39.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.815 0.341 . . . . 0.0 110.85 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 94.1 mt -81.02 -49.38 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.447 ' HG3' ' N ' ' A' ' 65' ' ' THR . 0.3 OUTLIER -49.88 -37.67 32.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.958 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.447 ' N ' ' HG3' ' A' ' 64' ' ' GLN . 10.0 t -84.19 -30.97 25.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.165 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.599 ' SD ' ' CD1' ' A' ' 13' ' ' TRP . 10.4 mtp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.845 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.565 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.3 pp . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.906 0.384 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.507 HG23 ' H ' ' A' ' 12' ' ' ASP . 9.6 t -104.97 147.05 28.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.725 HG12 HD12 ' A' ' 14' ' ' LEU . 63.8 t -37.45 -33.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -68.39 -54.7 15.01 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.492 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.507 ' H ' HG23 ' A' ' 9' ' ' THR . 0.9 OUTLIER -45.73 -62.21 1.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.762 0.315 . . . . 0.0 110.881 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.599 ' HZ3' HG13 ' A' ' 10' ' ' VAL . 0.1 OUTLIER -52.1 -62.49 1.6 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.725 HD12 HG12 ' A' ' 10' ' ' VAL . 52.1 mt -47.49 -36.21 9.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -56.82 -37.78 71.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.6 t -57.03 -40.71 77.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.559 HG21 ' HB2' ' A' ' 62' ' ' SER . 17.0 pt -94.9 18.71 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.185 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 45.0 mtm180 54.02 35.24 21.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.441 ' CG ' HD12 ' A' ' 17' ' ' ILE . 39.5 mmm -119.63 2.88 11.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -51.21 -17.67 2.75 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.505 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -62.8 -25.41 68.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.777 0.322 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.487 ' CD1' HG13 ' A' ' 50' ' ' ILE . 39.5 m-85 -91.66 -8.54 46.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -45.99 -42.57 13.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.873 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -57.35 -31.55 65.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.411 ' CE1' ' HD1' ' A' ' 22' ' ' TYR . 5.8 m80 -66.65 -54.9 18.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.613 ' CD1' ' CD1' ' A' ' 48' ' ' LEU . 21.0 m-85 -46.76 -45.87 20.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.51 -29.27 61.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.078 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.57 -34.8 40.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.108 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.15 8.85 50.23 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.9 15.05 58.5 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.544 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.602 ' CD2' ' SD ' ' A' ' 40' ' ' MET . 75.1 m-85 -121.25 105.46 10.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.935 0.398 . . . . 0.0 110.889 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.431 ' C ' HG23 ' A' ' 10' ' ' VAL . 3.2 t -117.69 -12.66 10.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.882 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.584 ' O ' HG23 ' A' ' 37' ' ' VAL . 9.0 m -120.63 169.97 9.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.491 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -80.99 -42.24 21.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.874 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -47.1 -30.76 5.53 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.478 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 8.0 ptp -94.39 -23.18 17.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.798 0.332 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 33' ' ' SER . 12.7 t -72.05 -32.11 42.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.149 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.709 HD13 HG23 ' A' ' 63' ' ' ILE . 4.3 mm? -66.1 -21.66 66.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -98.0 19.79 13.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.602 ' SD ' ' CD2' ' A' ' 31' ' ' TYR . 23.1 mtp -103.5 162.79 12.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -148.07 -179.6 7.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.472 ' HA ' HD11 ' A' ' 60' ' ' LEU . . . -42.46 -44.5 4.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -57.46 -47.82 80.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.435 ' CB ' ' HE3' ' A' ' 40' ' ' MET . 26.4 m-20 -70.22 -58.16 4.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.8 t -50.17 -54.06 9.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.873 ' HD2' HG22 ' A' ' 51' ' ' THR . 14.5 tpt180 -49.84 -41.02 44.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.29 -37.68 75.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.079 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.613 ' CD1' ' CD1' ' A' ' 26' ' ' PHE . 38.5 mt -58.7 -25.84 63.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.414 ' O ' HG23 ' A' ' 51' ' ' THR . . . 124.33 -23.6 6.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.482 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.746 ' H ' HD12 ' A' ' 50' ' ' ILE . 2.9 mp -72.5 103.63 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.895 0.379 . . . . 0.0 111.09 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.873 HG22 ' HD2' ' A' ' 46' ' ' ARG . 1.5 p -118.37 -28.57 5.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.117 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 53' ' ' MET . 2.3 mt -50.87 109.63 0.34 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.424 ' C ' ' O ' ' A' ' 52' ' ' LEU . 37.2 mmt -36.57 -56.6 0.81 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -42.77 -40.18 3.88 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.487 ' O ' ' N ' ' A' ' 58' ' ' LYS . 21.4 m170 -89.58 -58.62 2.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.74 0.305 . . . . 0.0 110.843 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.491 ' NE2' ' HA ' ' A' ' 51' ' ' THR . 11.2 mt-30 -39.66 -41.04 1.0 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -65.45 -37.62 87.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.535 ' HB3' HD12 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -64.85 -62.05 1.8 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.915 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.537 HD12 HG21 ' A' ' 50' ' ' ILE . 77.6 mt -52.19 -58.1 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.127 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.472 HD11 ' HA ' ' A' ' 42' ' ' ALA . 18.6 mt -59.7 -58.27 9.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -54.67 -28.22 45.32 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.456 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.559 ' HB2' HG21 ' A' ' 17' ' ' ILE . 23.3 t -76.63 -25.63 54.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.897 0.379 . . . . 0.0 110.889 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.709 HG23 HD13 ' A' ' 38' ' ' LEU . 82.3 mt -86.04 -49.77 14.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.182 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -46.52 -30.37 2.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.941 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.8 t -88.63 -30.75 18.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.6 ' HB3' HD11 ' A' ' 38' ' ' LEU . 15.4 mtm . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.595 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.3 pp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.91 0.386 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.533 ' O ' ' N ' ' A' ' 11' ' ' GLY . 9.7 t -106.22 148.1 28.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.792 HG12 HD12 ' A' ' 14' ' ' LEU . 68.0 t -35.39 -29.15 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.133 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -72.07 -51.61 13.74 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.442 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.464 ' HB3' HD13 ' A' ' 8' ' ' LEU . 5.4 t0 -48.07 -64.86 0.68 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.848 0.356 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.576 ' CH2' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -50.87 -63.64 1.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.792 HD12 HG12 ' A' ' 10' ' ' VAL . 47.6 mt -44.77 -42.12 7.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -52.85 -39.72 62.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.7 t -52.06 -44.49 64.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.575 HD12 ' HB3' ' A' ' 58' ' ' LYS . 34.2 pt -94.04 14.28 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.12 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 48.4 mtp180 60.29 37.15 20.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.401 ' CG ' HG13 ' A' ' 17' ' ' ILE . 32.0 mmt -118.67 -1.82 11.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.444 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -51.14 -20.71 4.93 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.487 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -60.44 -25.18 65.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 0.0 110.865 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.46 ' CD1' HG13 ' A' ' 50' ' ' ILE . 33.9 m-85 -90.55 -9.91 45.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 22' ' ' TYR . 24.2 ttt180 -37.94 -60.64 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -39.2 -38.11 0.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.826 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.472 ' HD2' ' O ' ' A' ' 48' ' ' LEU . 14.4 m80 -61.12 -58.41 8.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.62 ' CG ' ' CD1' ' A' ' 48' ' ' LEU . 23.7 m-85 -46.02 -47.0 16.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.65 -29.66 59.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.121 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.43 -34.96 41.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.48 8.18 49.26 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.23 16.67 57.12 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.517 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.592 ' CD1' ' SD ' ' A' ' 40' ' ' MET . 80.1 m-85 -121.51 101.69 7.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.848 0.356 . . . . 0.0 110.914 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 60.2 p -114.57 -9.68 12.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.591 ' O ' HG23 ' A' ' 37' ' ' VAL . 12.4 m -123.35 168.5 12.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.823 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.61 HD12 ' SD ' ' A' ' 66' ' ' MET . 0.3 OUTLIER -78.2 -43.29 28.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.874 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -46.11 -45.2 14.98 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 7.6 ptp -78.55 -20.86 49.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 33' ' ' SER . 10.8 t -75.96 -37.24 33.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.535 HD21 ' SD ' ' A' ' 66' ' ' MET . 41.3 mt -61.9 -19.27 62.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -101.49 19.9 17.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.592 ' SD ' ' CD1' ' A' ' 31' ' ' TYR . 37.7 mtp -99.49 166.43 11.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.477 ' O ' ' N ' ' A' ' 44' ' ' ASP . 2.2 m-80 -151.25 168.24 25.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.782 ' HA ' HD11 ' A' ' 60' ' ' LEU . . . -34.33 -48.12 0.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -53.68 -45.7 70.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 41' ' ' ASN . 66.3 m-20 -72.19 -59.7 2.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.1 t -48.15 -53.85 5.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.84 -44.16 28.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.86 -35.31 68.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.075 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.62 ' CD1' ' CG ' ' A' ' 26' ' ' PHE . 22.7 mt -60.49 -25.47 66.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 124.03 -27.2 5.68 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.776 ' H ' HD12 ' A' ' 50' ' ' ILE . 2.9 mp -70.16 103.25 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.9 0.381 . . . . 0.0 111.153 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.479 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 44.4 p -117.91 -28.2 5.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.9 mp -50.05 115.38 1.39 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.934 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 35.6 mmt -43.8 -48.74 8.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -52.14 -31.09 32.96 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.476 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.468 ' O ' ' N ' ' A' ' 58' ' ' LYS . 14.0 m170 -97.0 -62.49 1.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.752 0.31 . . . . 0.0 110.86 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.492 ' CG ' ' O ' ' A' ' 50' ' ' ILE . 12.9 mt-30 -36.73 -47.35 0.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -57.52 -43.24 84.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.575 ' HB3' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -60.38 -64.52 0.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.906 179.832 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.732 HD12 HG21 ' A' ' 50' ' ' ILE . 74.0 mt -50.99 -63.45 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.782 HD11 ' HA ' ' A' ' 42' ' ' ALA . 15.5 mt -55.94 -59.91 4.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -51.84 -32.48 33.62 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.545 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.463 ' HB2' HG21 ' A' ' 17' ' ' ILE . 24.6 t -71.93 -34.23 68.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.849 0.357 . . . . 0.0 110.867 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.576 HD11 ' CH2' ' A' ' 13' ' ' TRP . 62.2 mt -79.04 -54.77 11.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -38.9 -34.06 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 15.0 t -94.24 -27.15 16.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.61 ' SD ' HD12 ' A' ' 34' ' ' LEU . 4.1 ttm . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.555 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.4 pp . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.932 0.396 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 11' ' ' GLY . 12.8 t -106.16 147.45 29.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.709 HG12 HD12 ' A' ' 14' ' ' LEU . 78.8 t -38.72 -25.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -75.85 -51.64 6.92 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.43 ' H ' HG23 ' A' ' 9' ' ' THR . 5.7 m-20 -49.2 -58.46 4.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.803 0.335 . . . . 0.0 110.847 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.577 ' CE3' ' HG ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.06 -63.56 1.14 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.709 HD12 HG12 ' A' ' 10' ' ' VAL . 39.1 mt -44.97 -42.84 8.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.939 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -51.01 -42.57 60.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.4 t -52.64 -41.22 63.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.769 HD12 ' HG3' ' A' ' 19' ' ' MET . 24.8 pt -96.39 18.45 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.135 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 47.1 mtt85 55.85 33.56 21.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.769 ' HG3' HD12 ' A' ' 17' ' ' ILE . 34.3 mmt -115.09 -2.17 12.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.475 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -50.51 -25.81 9.23 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -57.81 -25.97 61.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.851 0.358 . . . . 0.0 110.857 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.543 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 32.9 m-85 -88.74 -10.51 48.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -39.14 -57.8 1.26 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -41.51 -37.61 1.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.543 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 15.5 m-70 -61.05 -60.0 4.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.594 ' CG ' HD13 ' A' ' 48' ' ' LEU . 31.3 m-85 -44.62 -45.99 9.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.25 -32.65 56.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.28 -39.09 60.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.87 3.36 36.58 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.5 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.53 16.76 51.75 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.467 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.544 ' CG ' ' SD ' ' A' ' 40' ' ' MET . 85.3 m-85 -118.94 107.96 14.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.898 0.38 . . . . 0.0 110.946 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.2 t -119.96 -10.39 9.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.85 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.503 ' O ' HG23 ' A' ' 37' ' ' VAL . 14.8 m -122.23 169.04 11.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.49 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -81.67 -41.26 21.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.884 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -48.84 -30.07 8.73 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.431 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.409 ' SD ' ' HA ' ' A' ' 31' ' ' TYR . 15.3 ptp -94.38 -26.02 16.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.339 . . . . 0.0 110.856 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 33' ' ' SER . 5.7 t -69.04 -42.17 81.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.771 HD13 HG23 ' A' ' 63' ' ' ILE . 3.4 mm? -56.46 -22.35 31.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.873 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.7 mmt85 -87.96 -18.05 29.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.544 ' SD ' ' CG ' ' A' ' 31' ' ' TYR . 39.5 mtp -65.21 179.27 0.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.507 ' O ' ' N ' ' A' ' 44' ' ' ASP . 0.9 OUTLIER -169.09 164.46 11.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.76 ' HA ' HD21 ' A' ' 60' ' ' LEU . . . -32.81 -37.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.075 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 41' ' ' ASN . 9.1 tm0? -63.09 -48.89 76.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 41' ' ' ASN . 66.1 m-20 -77.3 -44.36 29.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.616 HG11 HD11 ' A' ' 60' ' ' LEU . 42.8 t -53.48 -55.38 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.679 ' HG2' HG22 ' A' ' 51' ' ' THR . 4.5 tmm_? -47.52 -45.09 26.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.87 -34.77 60.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.074 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.594 HD13 ' CG ' ' A' ' 26' ' ' PHE . 36.4 mt -63.89 -25.31 68.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 123.49 -30.24 4.99 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.511 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.739 ' H ' HD12 ' A' ' 50' ' ' ILE . 2.3 mp -66.25 101.66 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.873 0.368 . . . . 0.0 111.151 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.679 HG22 ' HG2' ' A' ' 46' ' ' ARG . 74.4 p -119.98 -18.72 8.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.464 ' O ' ' C ' ' A' ' 53' ' ' MET . 3.6 mm? -50.33 107.38 0.16 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.464 ' C ' ' O ' ' A' ' 52' ' ' LEU . 0.3 OUTLIER -32.36 -55.23 0.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.904 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -53.79 -49.11 59.56 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -68.93 -59.36 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.735 0.303 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.494 ' O ' HD13 ' A' ' 60' ' ' LEU . 19.5 mt-30 -45.37 -32.09 1.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.936 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -70.42 -34.16 72.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.468 ' N ' ' HD3' ' A' ' 58' ' ' LYS . 5.9 mmtt -73.52 -56.4 5.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.657 HD12 HG21 ' A' ' 50' ' ' ILE . 63.4 mt -55.08 -60.17 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.126 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.76 HD21 ' HA ' ' A' ' 42' ' ' ALA . 9.6 mp -62.05 -52.12 65.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -55.71 -35.37 62.44 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.45 ' O ' ' CG2' ' A' ' 65' ' ' THR . 10.0 t -75.62 -36.85 60.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.883 0.373 . . . . 0.0 110.855 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.771 HG23 HD13 ' A' ' 38' ' ' LEU . 89.8 mt -69.92 -53.49 23.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.155 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.446 ' HG3' ' N ' ' A' ' 65' ' ' THR . 0.0 OUTLIER -48.29 -32.53 7.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.45 ' CG2' ' O ' ' A' ' 62' ' ' SER . 9.5 t -87.64 -38.33 15.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.488 ' HB3' HD11 ' A' ' 38' ' ' LEU . 18.6 mtm . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.605 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.3 pp . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.908 0.385 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 11' ' ' GLY . 9.9 t -105.59 145.92 30.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.183 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.715 HG12 HD12 ' A' ' 14' ' ' LEU . 69.8 t -36.86 -28.32 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.075 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -72.73 -48.03 23.88 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.452 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.429 ' H ' HG23 ' A' ' 9' ' ' THR . 0.6 OUTLIER -53.03 -63.78 1.04 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.801 0.334 . . . . 0.0 110.866 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.601 ' CE3' ' HG ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -50.57 -60.11 3.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.968 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.715 HD12 HG12 ' A' ' 10' ' ' VAL . 40.5 mt -48.11 -49.21 32.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -49.15 -37.47 22.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.8 t -53.92 -46.73 71.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.496 HG21 ' HB2' ' A' ' 62' ' ' SER . 46.9 pt -91.9 16.95 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.153 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.3 mtm-85 63.23 31.57 15.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.435 ' C ' ' HB3' ' A' ' 14' ' ' LEU . 32.6 mmt -115.63 -0.27 13.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.412 ' HA2' ' CB ' ' A' ' 14' ' ' LEU . . . -52.57 -14.4 2.41 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.485 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -69.09 -25.88 64.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.839 0.352 . . . . 0.0 110.879 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.574 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 43.1 m-85 -92.86 -6.94 47.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.49 ' CG ' ' N ' ' A' ' 24' ' ' ASP . 4.6 ptm180 -43.38 -50.45 6.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.49 ' N ' ' CG ' ' A' ' 23' ' ' ARG . 6.0 t0 -50.27 -35.25 26.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.574 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 13.4 m-70 -62.45 -56.74 15.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.661 ' CE2' ' HE1' ' A' ' 40' ' ' MET . 24.6 m-85 -46.48 -48.97 18.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.95 -35.29 66.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.088 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.59 -33.14 64.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.074 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.63 5.42 64.8 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.467 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.35 14.12 49.15 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.539 ' CD1' ' SD ' ' A' ' 40' ' ' MET . 68.1 m-85 -122.29 100.37 6.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.914 0.388 . . . . 0.0 110.924 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 42.1 m -110.58 -9.48 14.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.896 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.495 ' O ' HG23 ' A' ' 37' ' ' VAL . 11.5 m -123.33 169.16 11.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.855 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.514 HD12 ' SD ' ' A' ' 66' ' ' MET . 0.3 OUTLIER -78.04 -44.85 25.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -44.95 -45.82 9.3 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.511 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 6.7 ptp -76.82 -22.55 53.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.506 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 11.3 t -77.67 -29.16 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.127 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.505 ' HA ' HG23 ' A' ' 63' ' ' ILE . 5.9 mp -68.8 -23.02 64.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -97.43 15.56 22.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.661 ' HE1' ' CE2' ' A' ' 26' ' ' PHE . 54.2 mtp -94.53 173.04 7.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.498 ' O ' ' N ' ' A' ' 44' ' ' ASP . 57.3 m-80 -155.35 166.58 33.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 41' ' ' ASN . . . -34.06 -48.55 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.07 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -53.94 -44.71 70.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.498 ' N ' ' O ' ' A' ' 41' ' ' ASN . 0.5 OUTLIER -72.64 -60.74 2.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 77.0 t -47.94 -53.01 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.469 ' HG2' HG22 ' A' ' 51' ' ' THR . 0.0 OUTLIER -47.83 -44.89 29.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.17 -32.55 64.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.094 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.586 ' CD1' ' CG ' ' A' ' 26' ' ' PHE . 59.3 mt -63.17 -23.2 67.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 121.03 -23.69 7.65 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.499 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.777 HG21 HD12 ' A' ' 59' ' ' ILE . 2.7 mp -74.87 103.72 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 111.153 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.469 HG22 ' HG2' ' A' ' 46' ' ' ARG . 48.4 p -119.85 -23.87 6.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.487 HD22 ' CE1' ' A' ' 55' ' ' HIS . 5.2 mp -50.02 116.02 1.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 17.9 mmt -44.39 -53.0 7.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.413 ' O ' ' CG ' ' A' ' 58' ' ' LYS . . . -52.12 -26.1 19.45 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.482 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.487 ' CE1' HD22 ' A' ' 52' ' ' LEU . 37.5 m170 -97.69 -64.93 1.0 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.736 0.303 . . . . 0.0 110.863 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.449 ' CD ' ' HA ' ' A' ' 51' ' ' THR . 17.2 mt-30 -39.25 -45.26 1.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -56.26 -39.68 73.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.517 ' HD2' ' N ' ' A' ' 58' ' ' LYS . 4.2 mmmm -69.32 -62.29 1.44 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.777 HD12 HG21 ' A' ' 50' ' ' ILE . 87.0 mt -48.02 -54.95 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.422 HD11 ' HA ' ' A' ' 42' ' ' ALA . 13.2 mt -62.81 -56.66 15.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.35 -22.63 51.54 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.499 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.496 ' HB2' HG21 ' A' ' 17' ' ' ILE . 29.2 t -82.4 -24.37 34.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.804 0.335 . . . . 0.0 110.819 -179.72 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.505 HG23 ' HA ' ' A' ' 38' ' ' LEU . 96.0 mt -84.24 -55.42 7.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.142 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -39.55 -39.52 0.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.6 t -78.4 -32.33 48.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.514 ' SD ' HD12 ' A' ' 34' ' ' LEU . 23.5 mtm . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.546 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.5 pp . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.928 0.394 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 11' ' ' GLY . 11.6 t -107.02 148.17 29.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.676 HG12 HD12 ' A' ' 14' ' ' LEU . 46.2 t -39.37 -25.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -76.86 -49.34 7.82 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.471 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.456 ' H ' HG23 ' A' ' 9' ' ' THR . 1.0 OUTLIER -50.66 -59.8 3.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.806 0.336 . . . . 0.0 110.849 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.58 ' CZ3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -55.47 -63.94 1.0 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.676 HD12 HG12 ' A' ' 10' ' ' VAL . 45.9 mt -44.58 -45.95 9.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -50.39 -45.26 55.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 53.5 m -51.21 -47.87 62.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.836 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.575 HD12 ' HG3' ' A' ' 19' ' ' MET . 26.3 pt -84.37 12.5 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.5 mtm180 61.54 33.77 18.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.575 ' HG3' HD12 ' A' ' 17' ' ' ILE . 31.2 mmt -119.66 2.17 11.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -51.94 -20.62 6.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.1 ptp85 -62.31 -24.81 67.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.348 . . . . 0.0 110.874 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.599 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 32.6 m-85 -89.49 -10.54 45.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.95 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.461 ' CD ' ' HB ' ' A' ' 10' ' ' VAL . 8.9 tpt180 -42.47 -55.98 3.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.852 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -42.93 -32.9 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.599 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 11.9 m-70 -66.38 -59.45 3.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.805 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.625 ' CG ' ' CD1' ' A' ' 48' ' ' LEU . 25.8 m-85 -47.25 -44.06 22.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.55 -29.73 59.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.79 -39.23 24.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.4 0.2 34.53 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.526 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.07 18.66 36.11 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.454 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.594 ' CD1' ' SD ' ' A' ' 40' ' ' MET . 78.7 m-85 -120.52 100.92 7.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.878 0.371 . . . . 0.0 110.875 -179.744 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.0 t -112.28 -13.19 13.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.6 m -119.11 167.23 12.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.492 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -78.51 -42.51 29.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.908 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -47.2 -44.11 19.62 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.516 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 8.0 ptp -77.75 -24.37 49.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.812 0.339 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.58 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 7.7 t -76.4 -30.43 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.118 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 mp -66.64 -20.97 66.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -99.62 15.4 26.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.594 ' SD ' ' CD1' ' A' ' 31' ' ' TYR . 27.2 mtp -96.7 171.05 8.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.456 ' O ' ' C ' ' A' ' 42' ' ' ALA . 58.8 m-80 -157.0 165.24 36.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.503 ' N ' HD21 ' A' ' 60' ' ' LEU . . . -33.27 -44.92 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -52.32 -52.12 54.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 41' ' ' ASN . 32.5 m-20 -72.23 -51.68 19.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.1 t -48.56 -55.55 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -43.55 -47.27 7.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.11 -34.21 55.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.147 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.625 ' CD1' ' CG ' ' A' ' 26' ' ' PHE . 19.3 mt -62.7 -27.5 69.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 123.88 -29.09 5.25 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.532 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.742 ' H ' HD12 ' A' ' 50' ' ' ILE . 2.1 mp -68.2 99.96 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.869 0.366 . . . . 0.0 111.107 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.442 ' HA ' ' CD ' ' A' ' 56' ' ' GLN . 47.9 p -116.7 -27.45 6.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.178 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.3 mt -50.1 112.3 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.434 ' HA ' ' CE ' ' A' ' 53' ' ' MET . 25.1 mmt -42.66 -44.47 4.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -52.49 -35.47 44.7 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.499 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.502 ' O ' ' N ' ' A' ' 58' ' ' LYS . 17.8 m170 -95.79 -60.08 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.748 0.309 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.489 ' CG ' ' O ' ' A' ' 50' ' ' ILE . 11.1 mt-30 -36.71 -39.76 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -62.8 -43.53 98.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.2 OUTLIER -59.87 -67.71 0.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.832 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.555 HD12 HG21 ' A' ' 50' ' ' ILE . 73.2 mt -45.5 -62.58 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.503 HD21 ' N ' ' A' ' 42' ' ' ALA . 16.6 mt -54.56 -56.98 13.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -50.82 -35.31 31.13 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.403 ' O ' ' SD ' ' A' ' 66' ' ' MET . 4.6 t -78.84 -31.13 45.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 0.0 110.85 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 85.6 mt -75.71 -58.19 4.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.147 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.424 ' HG3' ' N ' ' A' ' 65' ' ' THR . 1.6 pp0? -39.82 -39.36 0.79 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.457 HG23 ' N ' ' A' ' 66' ' ' MET . 9.4 t -84.42 -42.98 15.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.457 ' N ' HG23 ' A' ' 65' ' ' THR . 11.0 mtp . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.578 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.4 pp . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.952 0.406 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 11' ' ' GLY . 5.8 t -106.55 147.36 29.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.174 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.768 HG12 HD12 ' A' ' 14' ' ' LEU . 69.5 t -36.75 -28.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -72.42 -53.62 8.56 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.502 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.465 ' H ' HG23 ' A' ' 9' ' ' THR . 3.2 m-20 -46.5 -62.91 1.16 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.845 0.355 . . . . 0.0 110.853 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.576 ' CZ3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -52.84 -63.4 1.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.768 HD12 HG12 ' A' ' 10' ' ' VAL . 58.7 mt -46.67 -35.61 6.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -60.64 -37.82 82.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.835 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 t -56.35 -40.71 74.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.484 HD12 ' CG ' ' A' ' 19' ' ' MET . 16.6 pt -92.57 15.17 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.155 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 57.56 31.07 19.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.484 ' CG ' HD12 ' A' ' 17' ' ' ILE . 34.6 mmm -115.43 3.11 14.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.14 -19.67 2.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -58.95 -25.83 63.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.844 0.355 . . . . 0.0 110.914 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.595 ' CD1' HG13 ' A' ' 50' ' ' ILE . 31.4 m-85 -92.69 -9.07 42.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.0 ptt-85 -46.45 -41.46 13.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -59.33 -30.89 68.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.591 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 9.6 m-70 -66.67 -55.75 13.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.721 ' HA ' HD13 ' A' ' 48' ' ' LEU . 21.4 m-85 -45.23 -45.12 11.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.26 -31.66 61.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.04 -39.55 63.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.079 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.12 -0.58 61.31 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.26 15.43 44.44 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.462 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.563 ' CD1' ' SD ' ' A' ' 40' ' ' MET . 88.9 m-85 -116.46 107.58 14.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.827 0.346 . . . . 0.0 110.935 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.443 ' C ' HG23 ' A' ' 10' ' ' VAL . 37.1 t -119.84 -12.1 9.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.451 ' O ' HG23 ' A' ' 37' ' ' VAL . 16.5 m -118.29 164.54 15.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.496 ' CG ' HD11 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -76.91 -42.26 40.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -47.32 -44.63 21.09 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.506 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.4 ' SD ' ' HA ' ' A' ' 31' ' ' TYR . 17.5 ptp -78.96 -24.31 43.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.828 0.347 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.576 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 7.5 t -76.01 -29.15 19.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.426 HD11 ' HB3' ' A' ' 66' ' ' MET . 1.9 mp -67.83 -23.14 65.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -97.23 13.01 30.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.563 ' SD ' ' CD1' ' A' ' 31' ' ' TYR . 27.4 mtp -95.25 -178.98 4.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.487 ' O ' ' N ' ' A' ' 44' ' ' ASP . 0.7 OUTLIER -168.73 164.18 12.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.894 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.52 ' HB2' ' CD2' ' A' ' 60' ' ' LEU . . . -33.25 -41.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.054 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 16.0 tp60 -56.89 -47.98 79.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 41' ' ' ASN . 41.3 m-20 -78.96 -42.99 25.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.506 HG11 HD11 ' A' ' 60' ' ' LEU . 88.4 t -55.33 -52.68 43.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.654 ' HG2' HG22 ' A' ' 51' ' ' THR . 3.3 tmm_? -44.19 -45.76 8.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.72 -34.56 53.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.721 HD13 ' HA ' ' A' ' 26' ' ' PHE . 14.3 mt -64.84 -29.7 70.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 126.35 -28.86 4.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.473 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.818 HG21 HD12 ' A' ' 59' ' ' ILE . 2.8 mp -66.18 100.0 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.884 0.373 . . . . 0.0 111.16 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.654 HG22 ' HG2' ' A' ' 46' ' ' ARG . 70.9 p -120.04 -25.65 5.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.143 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 55' ' ' HIS . 3.1 mm? -45.57 102.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.476 ' C ' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -32.02 -41.32 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . -64.89 -46.25 90.01 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.449 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.5 ' N ' ' O ' ' A' ' 52' ' ' LEU . 11.3 m170 -74.4 -57.52 3.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.762 0.315 . . . . 0.0 110.885 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.508 ' NE2' ' HA ' ' A' ' 51' ' ' THR . 18.9 mt-30 -41.33 -44.15 2.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.959 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.4 mttm -56.92 -45.45 82.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.4 ' HD2' ' O ' ' A' ' 54' ' ' GLY . 0.1 OUTLIER -59.37 -62.93 1.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.86 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.818 HD12 HG21 ' A' ' 50' ' ' ILE . 67.3 mt -53.71 -66.92 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.128 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.52 ' CD2' ' HB2' ' A' ' 42' ' ' ALA . 8.1 mp -47.78 -54.29 12.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.1 -33.47 79.72 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.519 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.605 ' O ' HG22 ' A' ' 65' ' ' THR . 11.0 t -71.5 -32.72 68.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 110.886 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 95.0 mt -73.69 -50.8 27.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.174 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.44 ' HG2' ' N ' ' A' ' 65' ' ' THR . 3.5 pt20 -45.37 -36.7 4.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.605 HG22 ' O ' ' A' ' 62' ' ' SER . 14.8 t -81.98 -26.79 33.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.574 ' HE1' ' CD2' ' A' ' 13' ' ' TRP . 34.7 mtm . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.567 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.5 pp . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.882 0.373 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.504 ' O ' ' N ' ' A' ' 11' ' ' GLY . 9.0 t -105.44 146.61 29.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.71 HG12 HD12 ' A' ' 14' ' ' LEU . 27.6 t -37.95 -26.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -75.47 -49.95 8.71 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.508 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.487 ' H ' HG23 ' A' ' 9' ' ' THR . 0.8 OUTLIER -50.43 -57.48 7.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.749 0.309 . . . . 0.0 110.857 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.707 ' CZ3' HG11 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -58.33 -60.54 3.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.937 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.71 HD12 HG12 ' A' ' 10' ' ' VAL . 30.7 mt -47.04 -40.52 14.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -52.93 -40.24 63.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.6 t -51.48 -44.03 62.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.531 HD12 ' HB3' ' A' ' 58' ' ' LYS . 30.9 pt -96.0 14.53 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.07 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.8 mmt85 57.83 39.7 26.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.436 ' CG ' HG13 ' A' ' 17' ' ' ILE . 31.2 mmt -118.51 -0.82 11.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.469 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -50.52 -17.88 2.2 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.482 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.545 ' NH1' ' CE1' ' A' ' 22' ' ' TYR . 8.4 ptm180 -61.4 -25.56 67.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.838 0.351 . . . . 0.0 110.918 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.786 ' CE2' HG23 ' A' ' 50' ' ' ILE . 16.4 m-85 -90.54 -13.07 35.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.944 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.455 ' C ' ' O ' ' A' ' 22' ' ' TYR . 17.9 ttt180 -33.7 -65.64 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 23' ' ' ARG . 0.5 OUTLIER -36.35 -41.78 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.574 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 16.9 m-70 -56.71 -58.85 6.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.819 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.662 ' CG ' HD13 ' A' ' 48' ' ' LEU . 37.2 m-85 -43.83 -50.06 8.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.93 -31.34 39.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.9 -38.29 37.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.464 ' HA3' ' CD2' ' A' ' 48' ' ' LEU . . . -74.15 2.87 41.73 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.539 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.83 18.69 33.83 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.504 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.707 ' CE2' ' CG ' ' A' ' 40' ' ' MET . 62.0 m-85 -121.22 100.17 6.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.892 0.377 . . . . 0.0 110.942 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.9 t -111.32 11.34 21.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.825 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.611 ' O ' HG23 ' A' ' 37' ' ' VAL . 11.1 m -155.01 173.14 17.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.598 ' O ' HD23 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -79.63 -37.94 34.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -39.53 -35.57 0.56 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.66 -36.16 12.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.707 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 77.7 t -58.7 -37.81 67.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.598 HD23 ' O ' ' A' ' 34' ' ' LEU . 4.3 mm? -59.38 -22.33 61.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.7 ptp85 -108.55 19.95 19.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.707 ' CG ' ' CE2' ' A' ' 31' ' ' TYR . 23.2 mtp -95.28 160.7 14.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.479 ' O ' ' N ' ' A' ' 44' ' ' ASP . 22.1 m-80 -151.17 171.64 17.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.864 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.716 ' HA ' HD11 ' A' ' 60' ' ' LEU . . . -35.25 -49.95 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.056 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -53.55 -42.93 68.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 41' ' ' ASN . 20.5 m-20 -77.15 -54.39 6.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.555 HG21 ' CD2' ' A' ' 60' ' ' LEU . 94.2 t -50.07 -53.69 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.168 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -47.6 -46.01 27.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.67 -36.15 61.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.155 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.662 HD13 ' CG ' ' A' ' 26' ' ' PHE . 20.4 mt -64.34 -27.74 69.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.411 ' O ' HG23 ' A' ' 51' ' ' THR . . . 129.03 -31.41 3.49 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.478 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.786 HG23 ' CE2' ' A' ' 22' ' ' TYR . 2.2 mp -64.46 104.08 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.912 0.387 . . . . 0.0 111.152 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.465 ' HA ' ' CD ' ' A' ' 56' ' ' GLN . 43.2 p -119.89 -29.7 4.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 53' ' ' MET . 4.9 mp -49.91 108.11 0.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.403 ' C ' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -37.81 -56.23 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -42.82 -38.51 3.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.53 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 58' ' ' LYS . 11.6 m170 -92.35 -59.31 2.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.748 0.309 . . . . 0.0 110.855 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.465 ' CD ' ' HA ' ' A' ' 51' ' ' THR . 10.5 mt-30 -36.42 -41.24 0.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.2 mmtm -62.06 -44.06 97.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.531 ' HB3' HD12 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -58.08 -67.04 0.38 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.885 179.88 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.662 HD12 HG21 ' A' ' 50' ' ' ILE . 89.5 mt -49.06 -65.68 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.174 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.716 HD11 ' HA ' ' A' ' 42' ' ' ALA . 58.3 mt -51.24 -59.0 4.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -56.29 -26.36 50.42 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.476 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.6 t -79.0 -26.95 43.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.911 0.386 . . . . 0.0 110.927 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 89.3 mt -81.46 -55.39 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.164 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -43.04 -36.23 1.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.3 t -84.05 -30.12 26.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.118 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.482 ' HB3' HD11 ' A' ' 38' ' ' LEU . 5.6 mtm . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.876 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.54 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.5 pp . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.914 0.387 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 11' ' ' GLY . 8.8 t -107.04 150.6 26.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.142 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.73 HG12 HD12 ' A' ' 14' ' ' LEU . 55.1 t -40.73 -24.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -77.97 -50.37 6.43 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.471 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.462 ' H ' HG23 ' A' ' 9' ' ' THR . 5.7 m-20 -49.92 -57.05 8.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.815 0.34 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.623 ' CZ3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -58.56 -64.02 1.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.73 HD12 HG12 ' A' ' 10' ' ' VAL . 51.5 mt -44.68 -42.57 7.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.938 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -52.3 -38.32 58.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.892 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.7 t -53.12 -44.84 68.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.57 HD12 ' HB3' ' A' ' 58' ' ' LYS . 11.7 pt -93.87 6.96 6.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.453 ' C ' ' SD ' ' A' ' 19' ' ' MET . 16.0 mtp-105 67.42 32.45 5.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.453 ' SD ' ' C ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -110.25 -2.32 16.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.48 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -50.12 -23.75 6.03 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -57.01 -23.0 43.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.817 0.341 . . . . 0.0 110.851 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.505 ' CD1' HG13 ' A' ' 50' ' ' ILE . 35.0 m-85 -95.22 -11.54 27.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 22' ' ' TYR . 14.0 ttt180 -36.35 -61.64 0.5 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -38.62 -39.94 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.532 ' HD2' ' O ' ' A' ' 48' ' ' LEU . 15.8 m80 -59.12 -59.92 4.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.576 ' CG ' ' CD1' ' A' ' 48' ' ' LEU . 25.7 m-85 -43.56 -47.72 7.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.72 -33.85 56.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.076 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.99 -39.11 56.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.083 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.04 4.7 22.57 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.488 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.04 19.55 36.07 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.47 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.7 ' CE2' ' CG ' ' A' ' 40' ' ' MET . 86.8 m-85 -121.7 106.2 11.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.856 0.36 . . . . 0.0 110.915 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 97.1 p -114.87 -14.0 11.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.41 ' O ' HG23 ' A' ' 37' ' ' VAL . 3.0 m -127.39 171.34 11.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.491 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.4 OUTLIER -77.91 -37.31 48.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.949 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -41.82 -46.15 4.87 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.463 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.17 -40.37 27.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 0.0 110.884 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.623 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 30.6 t -54.23 -44.35 64.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.168 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.454 ' CD2' ' HB3' ' A' ' 66' ' ' MET . 33.5 mt -58.54 -15.65 12.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.7 mtt180 -107.75 19.73 19.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.7 ' CG ' ' CE2' ' A' ' 31' ' ' TYR . 28.1 mtp -100.56 174.11 6.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.469 ' O ' ' N ' ' A' ' 44' ' ' ASP . 69.1 m-80 -161.95 168.38 22.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.459 ' C ' ' O ' ' A' ' 41' ' ' ASN . . . -32.9 -44.59 0.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -56.66 -49.36 75.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 41' ' ' ASN . 64.7 m-20 -73.54 -48.81 30.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.585 HG11 ' CD1' ' A' ' 60' ' ' LEU . 96.7 t -52.41 -56.06 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -46.55 -45.33 18.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.18 -38.06 56.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.133 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.576 ' CD1' ' CG ' ' A' ' 26' ' ' PHE . 26.5 mt -63.47 -24.76 67.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.499 ' O ' HG23 ' A' ' 51' ' ' THR . . . 121.61 -30.43 5.35 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.516 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.905 HG21 HD12 ' A' ' 59' ' ' ILE . 3.3 mp -63.46 100.06 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.91 0.386 . . . . 0.0 111.12 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.499 HG23 ' O ' ' A' ' 49' ' ' GLY . 29.0 p -119.97 -20.71 7.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.464 ' H ' HD22 ' A' ' 52' ' ' LEU . 3.7 mm? -50.01 113.57 0.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -43.29 -43.48 4.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.41 ' O ' ' HD2' ' A' ' 58' ' ' LYS . . . -62.93 -30.53 77.61 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.517 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 56' ' ' GLN . 14.8 m170 -91.83 -63.71 1.21 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.738 0.304 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.49 ' NE2' ' HA ' ' A' ' 51' ' ' THR . 17.1 mt-30 -36.27 -47.17 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -53.72 -48.17 69.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.57 ' HB3' HD12 ' A' ' 17' ' ' ILE . 0.3 OUTLIER -58.19 -64.91 0.75 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.89 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.905 HD12 HG21 ' A' ' 50' ' ' ILE . 80.1 mt -50.54 -61.99 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.165 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.585 ' CD1' HG11 ' A' ' 45' ' ' VAL . 10.7 mp -52.42 -58.49 6.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.27 -29.11 59.71 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.2 t -76.04 -28.3 57.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.359 . . . . 0.0 110.871 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 66' ' ' MET . 91.3 mt -83.41 -54.66 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.147 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -40.75 -39.38 1.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.8 t -81.14 -31.57 34.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.454 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 11.0 mtm . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.575 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.4 pp . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.915 0.388 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 11' ' ' GLY . 9.6 t -107.95 147.28 31.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.66 HG12 HD12 ' A' ' 14' ' ' LEU . 42.5 t -38.09 -27.77 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.098 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -74.59 -47.27 16.13 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.434 ' H ' HG23 ' A' ' 9' ' ' THR . 3.2 m-20 -52.58 -63.51 1.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.766 0.317 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.578 ' CZ3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -51.91 -61.83 2.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.66 HD12 HG12 ' A' ' 10' ' ' VAL . 48.3 mt -46.56 -48.51 19.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.939 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -50.07 -41.51 48.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.8 t -52.16 -48.85 64.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.602 HD12 ' HB3' ' A' ' 58' ' ' LYS . 37.9 pt -87.16 17.06 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.162 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 70.2 mtt180 59.74 35.63 22.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.846 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 32.1 mmt -119.62 -1.39 10.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -51.03 -21.09 5.02 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -61.8 -27.5 68.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.8 0.333 . . . . 0.0 110.886 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.586 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 30.6 m-85 -86.69 -10.28 54.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.961 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.488 ' CD ' HG12 ' A' ' 10' ' ' VAL . 8.1 tpt180 -39.04 -59.81 0.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.863 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -40.02 -36.55 0.49 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.586 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 13.5 m-70 -62.64 -59.32 5.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.625 ' CG ' ' CD1' ' A' ' 48' ' ' LEU . 26.4 m-85 -46.69 -46.76 20.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.51 -34.51 67.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.116 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.82 -33.69 66.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.087 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.88 -0.96 83.5 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.493 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.26 14.47 41.69 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.426 ' CD1' ' SD ' ' A' ' 40' ' ' MET . 93.0 m-85 -114.73 110.14 19.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.863 0.363 . . . . 0.0 110.948 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.0 t -119.36 -14.23 9.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.836 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.431 ' O ' HG23 ' A' ' 37' ' ' VAL . 9.5 m -119.08 167.17 12.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.501 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -78.54 -42.97 27.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.946 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -46.26 -45.62 15.88 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.518 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.411 ' SD ' ' HA ' ' A' ' 31' ' ' TYR . 20.0 ptp -77.26 -23.84 51.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.358 . . . . 0.0 110.87 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.578 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 5.9 t -75.92 -31.23 21.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.085 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.8 mp -66.38 -27.9 68.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.0 ptt180 -91.63 17.14 9.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.462 ' HE3' ' CB ' ' A' ' 44' ' ' ASP . 36.6 mtp -93.56 172.55 8.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' ' 44' ' ' ASP . 37.7 m-80 -154.32 166.28 33.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.509 ' HA ' HD11 ' A' ' 60' ' ' LEU . . . -37.16 -38.97 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.066 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -61.49 -46.14 91.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.462 ' CB ' ' HE3' ' A' ' 40' ' ' MET . 2.4 m-20 -72.41 -57.85 3.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.409 ' CG2' ' HE2' ' A' ' 40' ' ' MET . 42.4 t -51.0 -52.37 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.884 ' HD2' HG22 ' A' ' 51' ' ' THR . 14.1 tpt180 -48.56 -40.88 28.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.848 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.99 -33.7 72.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.625 ' CD1' ' CG ' ' A' ' 26' ' ' PHE . 39.3 mt -62.21 -22.43 65.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.589 ' O ' HG23 ' A' ' 51' ' ' THR . . . 122.61 -31.0 4.96 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.531 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.759 ' H ' HD12 ' A' ' 50' ' ' ILE . 2.5 mp -67.13 101.07 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.917 0.389 . . . . 0.0 111.135 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.884 HG22 ' HD2' ' A' ' 46' ' ' ARG . 1.6 p -118.15 -28.51 5.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.169 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.7 mp -50.5 113.64 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 27.6 mmt -42.95 -49.91 5.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.404 ' O ' ' HD2' ' A' ' 58' ' ' LYS . . . -48.89 -32.8 11.99 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.54 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.489 ' O ' ' N ' ' A' ' 58' ' ' LYS . 14.5 m170 -97.53 -61.17 1.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.787 0.327 . . . . 0.0 110.872 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.449 ' CD ' ' HA ' ' A' ' 51' ' ' THR . 11.9 mt-30 -36.25 -34.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 55' ' ' HIS . 72.5 mttt -67.34 -45.65 75.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.602 ' HB3' HD12 ' A' ' 17' ' ' ILE . 0.5 OUTLIER -58.29 -64.78 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.916 179.845 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.659 HD12 HG21 ' A' ' 50' ' ' ILE . 84.2 mt -47.75 -69.14 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.509 HD11 ' HA ' ' A' ' 42' ' ' ALA . 11.5 mt -54.44 -58.99 5.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -49.68 -31.8 16.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.645 ' O ' HG22 ' A' ' 65' ' ' THR . 10.4 t -79.73 -29.99 40.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 0.0 110.863 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' A' ' 66' ' ' MET . 96.2 mt -73.92 -54.47 14.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -41.13 -33.49 0.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.645 HG22 ' O ' ' A' ' 62' ' ' SER . 15.4 t -86.71 -29.3 22.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.493 ' N ' ' O ' ' A' ' 63' ' ' ILE . 26.3 mtm . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.55 HD13 ' H ' ' A' ' 13' ' ' TRP . 4.7 pp . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.975 0.417 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.567 HG23 ' H ' ' A' ' 12' ' ' ASP . 15.1 t -103.97 148.09 26.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.724 HG22 HG21 ' A' ' 37' ' ' VAL . 24.5 t -41.17 -32.65 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.45 -49.95 35.05 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.535 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.567 ' H ' HG23 ' A' ' 9' ' ' THR . 3.1 m-20 -50.22 -62.82 1.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.706 ' CZ3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -51.33 -62.43 1.62 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.627 HD12 HG12 ' A' ' 10' ' ' VAL . 47.6 mt -46.41 -45.59 18.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.874 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -47.56 -43.76 25.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.833 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.9 t -50.92 -44.36 60.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.604 HD13 ' CB ' ' A' ' 62' ' ' SER . 29.5 pt -93.95 16.39 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 70.1 mtm180 58.77 34.02 23.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.449 ' CG ' HG13 ' A' ' 17' ' ' ILE . 30.6 mmt -114.01 -1.99 13.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.474 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -48.95 -24.96 4.8 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.434 ' HB3' ' NH1' ' A' ' 21' ' ' ARG . 2.9 ptp180 -58.07 -31.27 66.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.779 0.324 . . . . 0.0 110.853 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.558 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 37.0 m-85 -87.09 -9.98 54.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -45.92 -42.72 13.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.842 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -55.15 -32.34 62.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.558 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 10.5 m-70 -66.65 -56.12 12.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.827 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.568 ' CD1' HD13 ' A' ' 48' ' ' LEU . 27.8 m-85 -45.01 -44.83 10.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.865 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.76 -32.17 63.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.068 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.83 -35.4 60.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.122 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.36 3.45 62.68 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.507 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.33 22.27 27.45 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.501 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.623 ' CE2' ' CG ' ' A' ' 40' ' ' MET . 95.8 m-85 -121.09 103.78 9.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.871 0.367 . . . . 0.0 110.865 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.8 t -109.74 -12.86 14.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.484 ' O ' HG23 ' A' ' 37' ' ' VAL . 5.8 m -131.47 172.94 11.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.553 ' O ' HD23 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -77.6 -36.54 51.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -40.93 -40.1 2.17 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.463 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.495 ' HB2' ' CD2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -87.64 -29.91 20.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.78 0.324 . . . . 0.0 110.886 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.724 HG21 HG22 ' A' ' 10' ' ' VAL . 53.8 t -66.17 -36.57 77.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.586 HD11 ' HB3' ' A' ' 66' ' ' MET . 4.5 mm? -64.19 -24.01 67.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -102.11 20.04 17.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.623 ' CG ' ' CE2' ' A' ' 31' ' ' TYR . 63.8 mtp -98.93 174.02 6.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.88 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 42' ' ' ALA . 70.4 m-80 -157.99 167.28 30.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 41' ' ' ASN . . . -37.46 -37.39 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.093 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -59.9 -49.59 77.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -72.86 -49.41 30.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.561 HG21 ' CD2' ' A' ' 60' ' ' LEU . 57.9 t -55.46 -54.12 28.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.932 ' HD2' HG22 ' A' ' 51' ' ' THR . 14.0 tpt180 -48.35 -39.05 20.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.46 -35.08 78.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.568 HD13 ' CD1' ' A' ' 26' ' ' PHE . 69.6 mt -60.43 -25.33 65.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.482 ' O ' HG23 ' A' ' 51' ' ' THR . . . 125.8 -29.32 4.71 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.753 ' H ' HD12 ' A' ' 50' ' ' ILE . 2.4 mp -65.75 101.1 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.901 0.381 . . . . 0.0 111.128 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.932 HG22 ' HD2' ' A' ' 46' ' ' ARG . 23.3 p -115.93 -26.97 7.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.167 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.5 mt -50.1 110.73 0.42 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 10.9 mmt -41.15 -48.67 3.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.498 ' O ' ' CD ' ' A' ' 58' ' ' LYS . . . -49.81 -38.57 30.38 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.509 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.498 ' O ' ' N ' ' A' ' 57' ' ' LYS . 10.6 m170 -91.24 -59.64 2.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.763 0.316 . . . . 0.0 110.868 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.505 ' CG ' ' O ' ' A' ' 50' ' ' ILE . 4.7 mt-30 -37.82 -27.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 55' ' ' HIS . 27.5 mttp -77.02 -45.25 27.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.498 ' CD ' ' O ' ' A' ' 54' ' ' GLY . 0.5 OUTLIER -60.15 -61.78 2.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.896 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.734 HD12 HG21 ' A' ' 50' ' ' ILE . 96.3 mt -47.0 -62.61 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.119 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.561 ' CD2' HG21 ' A' ' 45' ' ' VAL . 4.6 mm? -57.66 -58.18 9.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.939 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.38 -26.97 31.65 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.497 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.604 ' CB ' HD13 ' A' ' 17' ' ' ILE . 22.9 t -80.9 -25.21 37.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.803 0.335 . . . . 0.0 110.853 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 85.2 mt -83.82 -50.59 15.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -47.62 -37.47 12.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.9 t -79.99 -31.48 39.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.17 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.586 ' HB3' HD11 ' A' ' 38' ' ' LEU . 18.3 mtm . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.582 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.4 pp . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.968 0.413 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 11' ' ' GLY . 10.1 t -107.79 148.01 30.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.201 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.796 HG12 HD12 ' A' ' 14' ' ' LEU . 70.6 t -37.33 -27.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.095 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -73.68 -53.87 7.03 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.517 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.447 ' H ' HG23 ' A' ' 9' ' ' THR . 5.0 m-20 -46.53 -62.7 1.25 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.784 0.326 . . . . 0.0 110.869 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.678 ' CZ3' HG11 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -52.85 -63.19 1.23 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.944 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.796 HD12 HG12 ' A' ' 10' ' ' VAL . 53.2 mt -46.27 -34.95 4.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -59.27 -36.05 74.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.0 m -58.22 -41.64 84.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.412 HD11 HD23 ' A' ' 14' ' ' LEU . 19.4 pt -92.36 16.62 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.111 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 55.66 35.01 24.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.812 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 43.5 mmm -119.41 1.61 11.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.12 -18.23 2.03 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.494 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -60.53 -27.33 67.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.845 0.355 . . . . 0.0 110.874 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.582 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 37.6 m-85 -91.41 -9.09 46.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.429 ' CG ' ' N ' ' A' ' 24' ' ' ASP . 21.6 ptt-85 -44.91 -44.94 10.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.821 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.429 ' N ' ' CG ' ' A' ' 23' ' ' ARG . 57.4 m-20 -54.51 -32.74 58.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.582 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 10.8 m-70 -65.5 -51.65 58.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.586 ' CD1' HD13 ' A' ' 48' ' ' LEU . 20.9 m-85 -46.96 -47.2 21.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.9 -28.18 61.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.081 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.99 -35.01 32.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.06 6.36 56.53 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.515 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.06 16.26 51.38 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.504 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.595 ' CD2' ' SD ' ' A' ' 40' ' ' MET . 78.9 m-85 -121.92 100.76 7.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.939 0.4 . . . . 0.0 110.911 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.2 t -114.9 9.68 16.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.898 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.627 ' O ' HG23 ' A' ' 37' ' ' VAL . 8.4 m -146.13 168.2 21.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.805 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.481 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -77.69 -45.21 25.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.951 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -42.88 -30.95 1.07 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.479 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.452 ' H ' ' HG2' ' A' ' 36' ' ' MET . 7.5 ptp -95.02 -20.5 19.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.329 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.678 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 38.0 t -77.07 -36.46 24.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.134 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.02 -20.5 62.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.5 ptt85 -105.13 16.17 26.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.595 ' SD ' ' CD2' ' A' ' 31' ' ' TYR . 26.3 mtp -94.77 166.36 12.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -154.66 173.55 16.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.526 ' N ' HD21 ' A' ' 60' ' ' LEU . . . -40.46 -45.09 2.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.081 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -51.86 -51.73 54.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -72.34 -52.96 13.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 87.8 t -47.98 -55.52 2.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -42.96 -46.28 5.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.15 -35.7 65.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.124 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.586 HD13 ' CD1' ' A' ' 26' ' ' PHE . 21.3 mt -58.89 -29.07 66.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 122.27 -22.67 7.43 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.76 ' H ' HD12 ' A' ' 50' ' ' ILE . 2.5 mp -72.67 103.21 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.952 0.406 . . . . 0.0 111.115 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.481 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 58.2 p -118.3 -22.14 7.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.137 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 53' ' ' MET . 4.6 mm? -50.06 108.39 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.443 ' C ' ' O ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -34.71 -48.77 0.39 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.477 ' O ' ' CD ' ' A' ' 58' ' ' LYS . . . -57.05 -51.79 55.23 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.516 ' CD2' ' N ' ' A' ' 55' ' ' HIS . 3.2 m170 -70.21 -57.87 4.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.769 0.318 . . . . 0.0 110.85 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.481 ' NE2' ' HA ' ' A' ' 51' ' ' THR . 13.2 mt-30 -42.43 -37.63 1.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.972 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -67.38 -41.96 84.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.477 ' CD ' ' O ' ' A' ' 54' ' ' GLY . 0.0 OUTLIER -59.52 -60.36 3.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.843 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.415 HD12 HG21 ' A' ' 50' ' ' ILE . 68.9 mt -55.46 -62.72 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.526 HD21 ' N ' ' A' ' 42' ' ' ALA . 30.4 mt -54.95 -59.92 4.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.928 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -48.97 -35.7 18.74 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.473 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.476 ' O ' ' CG2' ' A' ' 65' ' ' THR . 9.7 t -70.16 -39.02 75.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.36 . . . . 0.0 110.882 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 88.2 mt -72.03 -57.75 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -39.9 -31.57 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.476 ' CG2' ' O ' ' A' ' 62' ' ' SER . 7.8 t -90.67 -41.06 11.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 12.4 mtm . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.896 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.542 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.5 pp . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.939 0.399 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 11' ' ' GLY . 13.5 t -105.07 148.76 26.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.121 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.752 HG12 HD12 ' A' ' 14' ' ' LEU . 54.2 t -40.98 -23.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -78.18 -47.75 8.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.445 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.444 ' H ' HG23 ' A' ' 9' ' ' THR . 3.4 m-20 -52.72 -57.58 9.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.781 0.324 . . . . 0.0 110.839 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.557 ' CZ3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -57.12 -61.95 2.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.962 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.752 HD12 HG12 ' A' ' 10' ' ' VAL . 51.0 mt -47.1 -47.53 23.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -49.51 -42.83 44.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.0 t -51.6 -42.34 61.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.953 HG21 ' OG ' ' A' ' 62' ' ' SER . 37.3 pt -94.71 13.87 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.126 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 62.41 36.22 14.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.421 ' C ' ' HB3' ' A' ' 14' ' ' LEU . 31.2 mmt -119.84 -3.81 10.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.496 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -49.09 -26.19 5.99 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.48 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -56.15 -30.21 61.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.791 0.329 . . . . 0.0 110.863 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.486 ' CD1' HG13 ' A' ' 50' ' ' ILE . 39.6 m-85 -85.14 -11.75 54.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.1 ttt180 -38.9 -59.47 0.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -40.26 -37.0 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.481 ' HD2' ' O ' ' A' ' 48' ' ' LEU . 13.0 m80 -61.92 -60.06 4.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.575 ' CD2' HD11 ' A' ' 48' ' ' LEU . 30.8 m-85 -45.69 -45.13 14.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.1 -31.59 52.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.116 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.26 -41.36 41.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.078 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.2 0.64 15.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.531 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.12 17.83 36.02 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.472 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.632 ' CE1' ' CG ' ' A' ' 40' ' ' MET . 79.9 m-85 -119.18 111.12 17.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.893 0.378 . . . . 0.0 110.923 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 87.7 p -120.04 -9.86 9.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.44 ' O ' HG23 ' A' ' 37' ' ' VAL . 6.4 p -123.94 171.27 9.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.522 HD11 ' CB ' ' A' ' 13' ' ' TRP . 0.3 OUTLIER -81.63 -41.98 20.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -46.87 -46.04 19.2 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.516 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.405 ' SD ' ' HA ' ' A' ' 31' ' ' TYR . 12.9 ptp -77.5 -22.87 50.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 110.896 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.557 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 4.8 t -76.69 -34.09 22.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.534 ' HA ' HG23 ' A' ' 63' ' ' ILE . 2.2 mp -62.13 -25.63 67.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.4 mmm180 -88.0 -16.41 33.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.632 ' CG ' ' CE1' ' A' ' 31' ' ' TYR . 59.5 mtp -63.44 177.76 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.458 ' CG ' ' O ' ' A' ' 40' ' ' MET . 76.1 m-20 -164.31 167.99 19.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' ' 46' ' ' ARG . . . -38.14 -45.85 0.98 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -54.19 -43.82 71.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 41' ' ' ASN . 74.5 m-20 -78.02 -52.8 8.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.511 HG11 ' CD2' ' A' ' 60' ' ' LEU . 54.2 t -50.25 -52.93 13.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.105 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.462 ' HG2' HG22 ' A' ' 51' ' ' THR . 4.2 tmm_? -44.72 -45.94 10.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.21 -36.57 63.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.096 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.575 HD11 ' CD2' ' A' ' 26' ' ' PHE . 23.1 mt -58.59 -28.04 65.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 123.45 -25.17 6.34 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.78 ' H ' HD12 ' A' ' 50' ' ' ILE . 2.4 mp -70.73 100.82 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.922 0.391 . . . . 0.0 111.13 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.462 HG22 ' HG2' ' A' ' 46' ' ' ARG . 48.4 p -117.28 -26.29 6.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.4 mt -51.26 112.67 0.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -42.08 -47.95 4.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.403 ' O ' ' HD2' ' A' ' 58' ' ' LYS . . . -50.84 -34.87 30.46 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.494 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.421 ' O ' ' N ' ' A' ' 58' ' ' LYS . 24.6 m170 -94.82 -61.29 1.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.77 0.319 . . . . 0.0 110.851 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.499 ' CG ' ' O ' ' A' ' 50' ' ' ILE . 11.6 mt-30 -37.09 -39.36 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.435 ' HB3' ' NZ ' ' A' ' 58' ' ' LYS . 27.3 mttm -62.89 -48.59 78.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.471 ' HB3' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -56.9 -65.27 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.894 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.609 HD12 HG21 ' A' ' 50' ' ' ILE . 84.2 mt -46.95 -68.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.511 ' CD2' HG11 ' A' ' 45' ' ' VAL . 4.6 mm? -52.46 -58.37 6.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.891 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -50.21 -31.1 18.86 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.441 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.953 ' OG ' HG21 ' A' ' 17' ' ' ILE . 49.3 m -77.35 -32.36 55.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.863 0.363 . . . . 0.0 110.886 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.534 HG23 ' HA ' ' A' ' 38' ' ' LEU . 96.2 mt -73.73 -54.5 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.139 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -42.2 -33.2 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.512 HG22 ' O ' ' A' ' 62' ' ' SER . 8.8 t -87.56 -36.66 17.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.48 ' SD ' HD12 ' A' ' 34' ' ' LEU . 24.3 mtm . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.632 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.2 pp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.922 0.391 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.53 ' O ' ' N ' ' A' ' 11' ' ' GLY . 5.0 t -106.53 147.09 29.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.165 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.787 HG12 HD12 ' A' ' 14' ' ' LEU . 76.4 t -35.04 -29.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.125 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.53 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -71.81 -46.8 35.9 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.523 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.47 ' HB3' HD13 ' A' ' 8' ' ' LEU . 1.5 t70 -53.6 -65.29 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.775 0.321 . . . . 0.0 110.869 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.584 ' CE3' ' HG ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -49.58 -58.88 4.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.787 HD12 HG12 ' A' ' 10' ' ' VAL . 51.4 mt -49.79 -45.26 49.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -50.79 -41.74 57.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.823 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.7 t -51.13 -44.79 61.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.471 HD12 ' HB3' ' A' ' 58' ' ' LYS . 41.2 pt -93.47 15.27 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.152 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 59.86 36.65 21.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 31.5 mmt -118.46 -0.91 11.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.433 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -49.72 -23.96 5.46 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.524 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -57.21 -28.79 63.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.34 . . . . 0.0 110.884 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.592 ' CD1' HG13 ' A' ' 50' ' ' ILE . 35.9 m-85 -90.32 -9.32 48.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.478 ' CG ' ' N ' ' A' ' 24' ' ' ASP . 11.2 ptm180 -42.77 -48.73 5.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.478 ' N ' ' CG ' ' A' ' 23' ' ' ARG . 1.2 t70 -51.49 -35.14 38.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.582 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 12.4 m-70 -62.31 -57.77 10.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.614 ' CG ' HD13 ' A' ' 48' ' ' LEU . 25.7 m-85 -45.18 -47.38 12.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.889 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.41 -34.87 69.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.061 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.2 -34.38 72.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.31 6.82 66.41 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.447 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.77 18.01 42.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.447 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.593 ' CE1' ' SD ' ' A' ' 40' ' ' MET . 84.4 m-85 -122.55 107.44 12.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.902 0.382 . . . . 0.0 110.901 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.0 t -119.82 -12.61 9.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.806 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.465 ' O ' HG23 ' A' ' 37' ' ' VAL . 4.2 m -116.56 167.9 10.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.496 HD11 ' CB ' ' A' ' 13' ' ' TRP . 0.3 OUTLIER -79.38 -42.5 25.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.885 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -48.36 -43.49 26.99 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.475 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.1 ptp -79.44 -26.14 41.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.843 0.354 . . . . 0.0 110.905 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.56 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 3.4 t -70.98 -35.4 59.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.431 ' HA ' HG23 ' A' ' 63' ' ' ILE . 2.5 mp -59.68 -21.06 60.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.831 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.23 -17.56 28.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.593 ' SD ' ' CE1' ' A' ' 31' ' ' TYR . 13.0 mmm -56.34 176.29 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 44' ' ' ASP . 0.8 OUTLIER -170.24 158.97 7.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.462 ' C ' ' O ' ' A' ' 41' ' ' ASN . . . -32.29 -48.65 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.073 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -56.08 -49.43 73.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.848 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 41' ' ' ASN . 54.4 m-20 -73.33 -56.5 4.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.414 ' N ' ' HE3' ' A' ' 40' ' ' MET . 58.4 t -43.32 -53.09 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -44.15 -46.19 8.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.47 -38.17 66.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.062 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.614 HD13 ' CG ' ' A' ' 26' ' ' PHE . 39.8 mt -58.59 -26.22 63.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 123.13 -26.79 6.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.477 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 1.013 HG21 HD12 ' A' ' 59' ' ' ILE . 2.9 mp -70.33 101.22 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.87 0.367 . . . . 0.0 111.094 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.493 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 36.4 p -119.07 -27.28 5.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.4 mt -50.68 116.29 1.87 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.463 ' HA ' ' CE ' ' A' ' 53' ' ' MET . 26.6 mmt -43.9 -48.38 8.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -52.82 -30.55 36.61 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.494 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.471 ' O ' ' N ' ' A' ' 58' ' ' LYS . 23.1 m170 -96.87 -63.24 1.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.721 0.296 . . . . 0.0 110.871 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.645 ' O ' HD13 ' A' ' 60' ' ' LEU . 14.5 mt-30 -36.78 -46.21 0.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.933 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -59.7 -42.9 94.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.471 ' HB3' HD12 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -65.28 -60.61 2.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.916 179.852 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 1.013 HD12 HG21 ' A' ' 50' ' ' ILE . 65.8 mt -51.09 -51.1 22.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.108 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.645 HD13 ' O ' ' A' ' 56' ' ' GLN . 11.0 mp -64.23 -57.36 9.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -54.92 -30.62 54.0 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.461 ' HB2' HG21 ' A' ' 17' ' ' ILE . 23.3 t -73.77 -29.0 61.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.352 . . . . 0.0 110.813 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.431 HG23 ' HA ' ' A' ' 38' ' ' LEU . 58.2 mt -81.13 -48.92 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.122 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.408 ' HG3' ' N ' ' A' ' 65' ' ' THR . 0.0 OUTLIER -45.05 -30.97 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.444 HG22 ' O ' ' A' ' 62' ' ' SER . 14.9 t -89.47 -27.0 20.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.467 ' SD ' ' CD1' ' A' ' 34' ' ' LEU . 28.1 mtm . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.572 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.5 pp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.899 0.381 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 11' ' ' GLY . 8.8 t -106.32 147.75 28.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.136 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.664 HG12 HD12 ' A' ' 14' ' ' LEU . 49.9 t -38.22 -27.13 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -74.09 -48.38 15.65 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.503 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.95 -63.92 0.98 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.837 0.351 . . . . 0.0 110.857 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.609 ' CD1' ' SD ' ' A' ' 66' ' ' MET . 0.0 OUTLIER -51.22 -61.72 2.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.664 HD12 HG12 ' A' ' 10' ' ' VAL . 44.2 mt -46.53 -47.42 19.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -51.4 -38.81 55.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.1 t -52.99 -44.98 67.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.598 HD12 ' HB3' ' A' ' 58' ' ' LYS . 28.5 pt -91.98 15.13 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.14 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 63.94 31.12 13.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.435 ' CG ' HG13 ' A' ' 17' ' ' ILE . 33.5 mmt -116.32 0.38 12.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.402 ' HA2' ' CB ' ' A' ' 14' ' ' LEU . . . -52.63 -14.33 2.43 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.462 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -68.06 -27.03 66.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.807 0.337 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.576 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 36.7 m-85 -90.65 -8.18 50.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.482 ' CG ' ' N ' ' A' ' 24' ' ' ASP . 6.3 ptp180 -43.03 -48.55 6.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.482 ' N ' ' CG ' ' A' ' 23' ' ' ARG . 0.9 OUTLIER -51.87 -34.23 39.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.576 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 12.2 m-70 -63.77 -53.84 44.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.619 ' CG ' ' CD1' ' A' ' 48' ' ' LEU . 30.8 m-85 -48.12 -49.57 31.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.59 -26.8 45.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.09 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.9 -33.61 34.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.149 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -83.51 11.52 55.54 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.22 14.93 58.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.519 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.67 ' CE2' ' CG ' ' A' ' 40' ' ' MET . 67.4 m-85 -122.31 100.16 6.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.849 0.357 . . . . 0.0 110.923 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.4 t -112.14 -12.38 13.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.848 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.575 ' O ' HG23 ' A' ' 37' ' ' VAL . 14.6 m -122.27 172.38 8.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.853 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.492 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.4 OUTLIER -79.13 -41.62 28.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.911 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -44.77 -43.9 8.35 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.507 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.9 ptp -81.67 -14.8 56.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.839 0.352 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.598 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 24.8 t -83.71 -35.97 11.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.465 ' CD2' ' O ' ' A' ' 34' ' ' LEU . 3.4 mm? -65.84 -17.87 64.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.18 3.87 33.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.67 ' CG ' ' CE2' ' A' ' 31' ' ' TYR . 45.2 mtp -78.37 -178.75 5.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.48 ' O ' ' N ' ' A' ' 44' ' ' ASP . 0.8 OUTLIER -166.75 163.52 16.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.432 ' HA ' HD11 ' A' ' 60' ' ' LEU . . . -35.53 -46.15 0.39 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.057 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.6 tp60 -54.41 -43.98 71.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 41' ' ' ASN . 75.7 m-20 -77.74 -51.25 10.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.3 t -51.83 -54.28 13.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.553 ' HG2' HG22 ' A' ' 51' ' ' THR . 4.9 tmm_? -46.18 -43.75 15.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.68 -32.7 63.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.619 ' CD1' ' CG ' ' A' ' 26' ' ' PHE . 24.5 mt -64.8 -24.51 67.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 121.08 -28.37 6.11 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.51 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.793 HG21 HD12 ' A' ' 59' ' ' ILE . 2.4 mp -67.6 100.14 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.888 0.375 . . . . 0.0 111.099 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.553 HG22 ' HG2' ' A' ' 46' ' ' ARG . 82.5 p -118.91 -23.94 6.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.158 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 55' ' ' HIS . 2.5 mt -49.97 108.18 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 38.4 mmt -40.22 -46.83 2.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.402 ' O ' ' HD2' ' A' ' 58' ' ' LYS . . . -53.92 -36.6 56.07 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.529 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.487 ' O ' ' N ' ' A' ' 58' ' ' LYS . 19.7 m170 -92.28 -59.07 2.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.725 0.298 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.48 ' NE2' ' HA ' ' A' ' 51' ' ' THR . 10.5 mt-30 -35.92 -41.61 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 43.3 mttt -58.86 -44.9 91.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.598 ' HB3' HD12 ' A' ' 17' ' ' ILE . 0.5 OUTLIER -58.84 -64.03 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.955 179.834 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.793 HD12 HG21 ' A' ' 50' ' ' ILE . 67.9 mt -52.04 -65.24 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.143 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.432 HD11 ' HA ' ' A' ' 42' ' ' ALA . 28.1 mt -55.47 -56.52 19.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.408 ' O ' ' HG3' ' A' ' 64' ' ' GLN . . . -47.69 -46.12 24.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.45 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.651 ' O ' HG22 ' A' ' 65' ' ' THR . 3.2 t -63.51 -49.58 72.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.818 0.342 . . . . 0.0 110.847 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.534 ' O ' ' N ' ' A' ' 66' ' ' MET . 96.6 mt -58.12 -60.08 2.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.132 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.468 ' HG3' ' N ' ' A' ' 65' ' ' THR . 0.6 OUTLIER -32.32 -37.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.651 HG22 ' O ' ' A' ' 62' ' ' SER . 9.8 t -98.58 -30.08 12.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.609 ' SD ' ' CD1' ' A' ' 13' ' ' TRP . 2.2 ttp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.611 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.4 pp . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.941 0.4 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 11' ' ' GLY . 9.8 t -106.95 146.58 30.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.179 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.845 HG12 HD12 ' A' ' 14' ' ' LEU . 69.2 t -35.91 -30.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.111 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -70.48 -52.19 17.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.424 ' H ' HG23 ' A' ' 9' ' ' THR . 7.4 m-20 -47.91 -65.29 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.815 0.341 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.796 ' CZ3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -51.5 -59.9 3.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.845 HD12 HG12 ' A' ' 10' ' ' VAL . 41.7 mt -49.51 -35.28 19.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -59.75 -39.71 85.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.1 t -55.29 -42.35 73.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.636 HG21 ' HB2' ' A' ' 62' ' ' SER . 19.4 pt -89.58 14.62 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.115 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.5 mmt85 57.65 30.12 18.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.466 ' HE2' ' HB3' ' A' ' 55' ' ' HIS . 26.4 mmm -115.04 4.02 14.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -51.34 -17.79 3.02 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.462 ' HB2' ' CZ ' ' A' ' 21' ' ' ARG . 2.4 ptm85 -62.48 -25.09 67.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.822 0.344 . . . . 0.0 110.863 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.598 ' CD1' HG13 ' A' ' 50' ' ' ILE . 29.1 m-85 -93.63 -10.15 35.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.481 ' CG ' ' N ' ' A' ' 24' ' ' ASP . 19.7 ptt-85 -42.53 -48.62 5.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.838 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.481 ' N ' ' CG ' ' A' ' 23' ' ' ARG . 8.2 p-10 -52.84 -34.5 54.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.595 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 11.6 m-70 -62.16 -56.38 19.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.653 ' CD1' ' CD1' ' A' ' 48' ' ' LEU . 16.0 m-85 -44.9 -47.11 11.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.825 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.13 -32.57 62.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.47 -36.29 60.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.59 7.02 51.11 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.517 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.47 20.34 38.28 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.521 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.576 ' CZ ' ' SD ' ' A' ' 40' ' ' MET . 86.2 m-85 -122.48 100.07 6.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.906 0.384 . . . . 0.0 110.868 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.0 m -115.45 8.47 15.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.74 ' O ' HG23 ' A' ' 37' ' ' VAL . 11.1 m -146.12 168.41 21.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.854 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.559 ' O ' HD23 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -78.18 -45.36 23.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -43.4 -31.41 1.54 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.429 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.413 ' O ' ' CG ' ' A' ' 39' ' ' ARG . 6.9 ptp -95.11 -24.2 16.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.843 0.354 . . . . 0.0 110.852 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.796 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 40.1 t -71.73 -40.34 69.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.154 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.559 HD23 ' O ' ' A' ' 34' ' ' LEU . 2.4 mm? -53.38 -24.82 13.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.413 ' CG ' ' O ' ' A' ' 36' ' ' MET . 3.7 ptp180 -96.23 19.94 11.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.585 ' HE2' ' CE2' ' A' ' 26' ' ' PHE . 21.8 mmm -86.63 169.56 12.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' A' ' 40' ' ' MET . 39.8 m-80 -162.45 162.5 27.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 41' ' ' ASN . . . -36.46 -42.65 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -59.83 -51.46 69.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -69.52 -55.0 11.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.5 t -48.72 -56.0 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.1 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.636 ' CD ' HG22 ' A' ' 51' ' ' THR . 22.5 tpt85 -48.42 -45.2 35.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.85 -36.17 62.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.065 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.653 ' CD1' ' CD1' ' A' ' 26' ' ' PHE . 24.4 mt -61.21 -22.32 64.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.953 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.657 ' O ' HG23 ' A' ' 51' ' ' THR . . . 122.42 -30.64 5.11 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.462 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.742 ' H ' HD12 ' A' ' 50' ' ' ILE . 2.2 mp -63.99 102.25 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.925 0.393 . . . . 0.0 111.114 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.657 HG23 ' O ' ' A' ' 49' ' ' GLY . 1.0 OUTLIER -117.57 -25.96 6.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.561 ' H ' HD22 ' A' ' 52' ' ' LEU . 3.4 mm? -50.04 109.86 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 31.8 mmt -40.12 -51.73 2.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.411 ' O ' ' HD3' ' A' ' 58' ' ' LYS . . . -52.24 -34.34 40.27 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.524 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.517 ' O ' ' N ' ' A' ' 58' ' ' LYS . 5.7 m170 -90.96 -61.81 1.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.76 0.314 . . . . 0.0 110.847 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.503 ' CG ' ' O ' ' A' ' 50' ' ' ILE . 16.4 mt-30 -36.46 -33.68 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 55' ' ' HIS . 7.8 mtpm? -69.26 -43.97 72.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.517 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -56.97 -63.62 1.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.893 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.679 HD12 HG21 ' A' ' 50' ' ' ILE . 61.7 mt -52.83 -62.8 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.101 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 51.9 mt -53.01 -60.49 3.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.45 -30.43 41.33 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.636 ' HB2' HG21 ' A' ' 17' ' ' ILE . 22.6 t -73.54 -30.22 62.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.814 0.34 . . . . 0.0 110.844 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 79.5 mt -81.4 -54.58 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.131 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -42.11 -42.06 2.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.7 t -78.8 -32.56 46.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 8.2 mtm . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.916 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.538 HD12 ' HB3' ' A' ' 12' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.957 0.408 . . . . 0.0 110.907 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.645 HG23 ' H ' ' A' ' 12' ' ' ASP . 8.8 t -93.6 150.69 20.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.712 HG12 HD12 ' A' ' 14' ' ' LEU . 70.4 t -43.88 -38.04 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.074 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.477 ' N ' ' HG3' ' A' ' 23' ' ' ARG . . . -65.77 -42.74 95.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.493 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.645 ' H ' HG23 ' A' ' 9' ' ' THR . 2.0 m-20 -58.34 -59.42 5.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.814 0.34 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.607 ' CE3' ' HG ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -54.73 -52.66 61.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.712 HD12 HG12 ' A' ' 10' ' ' VAL . 32.9 mt -55.28 -52.88 62.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -44.71 -43.19 8.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.8 t -51.28 -46.15 62.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.825 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.63 HG21 ' OG ' ' A' ' 62' ' ' SER . 42.0 pt -90.44 14.9 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.078 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 62.9 34.66 14.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.429 ' C ' ' HB3' ' A' ' 14' ' ' LEU . 30.3 mmt -119.96 -0.22 10.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.455 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -52.6 -17.34 4.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.9 ptp180 -66.28 -21.02 66.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.778 0.323 . . . . 0.0 110.871 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.596 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 44.1 m-85 -92.64 -12.64 31.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.477 ' HG3' ' N ' ' A' ' 11' ' ' GLY . 16.3 ttt-85 -34.52 -61.7 0.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -41.45 -40.71 1.85 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.596 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 16.2 m-70 -57.46 -60.96 2.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.599 ' CD2' HD11 ' A' ' 48' ' ' LEU . 29.5 m-85 -44.95 -50.1 10.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.29 -31.5 61.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.077 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.78 -35.9 57.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.099 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.21 5.46 59.45 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.491 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.62 20.07 35.71 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.467 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.643 ' CE2' ' CG ' ' A' ' 40' ' ' MET . 24.8 m-85 -122.02 106.49 11.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.906 0.384 . . . . 0.0 110.912 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 83.5 p -115.91 -11.32 11.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.852 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.44 173.47 10.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.517 ' HG ' ' CD2' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -74.34 -43.05 58.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -42.59 -50.85 5.71 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.518 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -31.06 64.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.836 0.35 . . . . 0.0 110.848 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.422 HG11 ' CH2' ' A' ' 13' ' ' TRP . 12.6 t -72.3 -26.1 24.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.472 HD13 ' O ' ' A' ' 34' ' ' LEU . 4.8 mp -74.81 -24.27 58.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.434 ' HB3' ' NH1' ' A' ' 39' ' ' ARG . 1.8 ptp180 -96.99 18.08 15.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.897 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.643 ' CG ' ' CE2' ' A' ' 31' ' ' TYR . 67.3 mtp -95.74 -179.79 4.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.495 ' O ' ' N ' ' A' ' 43' ' ' GLN . 0.6 OUTLIER -168.22 164.05 13.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.48 ' HA ' HD11 ' A' ' 60' ' ' LEU . . . -32.91 -34.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 41' ' ' ASN . 77.1 mm-40 -64.29 -53.58 46.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 41' ' ' ASN . 47.8 m-20 -69.31 -58.61 3.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.4 t -45.04 -53.12 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -47.21 -38.69 12.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.9 -35.76 81.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.599 HD11 ' CD2' ' A' ' 26' ' ' PHE . 37.6 mt -58.71 -24.58 61.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 121.36 -24.05 7.41 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.76 ' H ' HD12 ' A' ' 50' ' ' ILE . 2.0 mp -74.11 100.37 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.922 0.391 . . . . 0.0 111.157 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.45 ' HA ' ' CD ' ' A' ' 56' ' ' GLN . 1.1 p -116.23 -24.39 8.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 mp -50.65 109.9 0.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.437 ' O ' ' CG ' ' A' ' 57' ' ' LYS . 10.4 mmm -41.94 -45.04 3.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.11 -35.65 54.95 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.501 ' O ' ' N ' ' A' ' 58' ' ' LYS . 25.5 m170 -94.26 -59.54 1.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.777 0.323 . . . . 0.0 110.861 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.497 ' CG ' ' O ' ' A' ' 50' ' ' ILE . 11.1 mt-30 -36.33 -34.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 53' ' ' MET . 10.3 mmmt -67.84 -44.95 76.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.2 OUTLIER -58.91 -61.17 2.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 179.801 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.624 HD12 HG21 ' A' ' 50' ' ' ILE . 67.3 mt -51.3 -63.29 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.48 HD11 ' HA ' ' A' ' 42' ' ' ALA . 15.6 mt -55.12 -59.27 5.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -47.83 -40.35 18.81 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.446 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.63 ' OG ' HG21 ' A' ' 17' ' ' ILE . 19.9 m -71.71 -33.02 68.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.853 0.359 . . . . 0.0 110.838 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.48 ' O ' ' N ' ' A' ' 66' ' ' MET . 81.7 mt -72.62 -54.3 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.149 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.457 ' HG3' ' N ' ' A' ' 65' ' ' THR . 1.7 pp0? -42.24 -34.52 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.915 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.628 HG22 ' O ' ' A' ' 62' ' ' SER . 13.9 t -87.2 -25.66 23.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.113 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.601 ' SD ' ' CD1' ' A' ' 13' ' ' TRP . 12.4 mtp . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.541 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.5 pp . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.933 0.396 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 11' ' ' GLY . 13.6 t -105.04 148.51 26.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.793 HG12 HD12 ' A' ' 14' ' ' LEU . 75.6 t -40.4 -24.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.109 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -77.3 -48.4 8.24 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.546 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.432 ' H ' HG23 ' A' ' 9' ' ' THR . 6.6 m-20 -52.12 -57.66 8.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.8 0.333 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.624 ' CZ3' HG11 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -57.82 -61.14 2.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.793 HD12 HG12 ' A' ' 10' ' ' VAL . 39.4 mt -46.89 -44.88 20.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -49.3 -44.87 44.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.0 t -51.33 -45.6 62.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.481 HG21 ' OG ' ' A' ' 62' ' ' SER . 34.6 pt -89.54 12.55 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.9 mmp_? 59.99 36.69 21.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.477 ' HG3' ' CD1' ' A' ' 17' ' ' ILE . 31.3 mmt -118.94 -1.81 10.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.844 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.471 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -50.91 -19.55 3.58 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -61.42 -26.66 68.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.35 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.586 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 29.2 m-85 -90.43 -10.53 43.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 22' ' ' TYR . 7.8 ttt-85 -36.41 -60.09 0.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -42.14 -39.35 1.97 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.586 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 15.1 m-70 -58.72 -60.87 3.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.568 ' CD1' HD13 ' A' ' 48' ' ' LEU . 21.5 m-85 -46.08 -48.13 17.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.99 -34.6 60.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.1 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.33 -39.34 65.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.09 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.53 2.1 40.6 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.471 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.26 19.08 31.48 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.468 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.536 ' CD1' ' SD ' ' A' ' 40' ' ' MET . 72.2 m-85 -122.4 102.05 7.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.877 0.37 . . . . 0.0 110.908 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.0 t -113.8 -11.6 12.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.476 ' O ' HG23 ' A' ' 37' ' ' VAL . 13.9 m -120.33 167.32 12.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.502 HD11 ' CB ' ' A' ' 13' ' ' TRP . 0.3 OUTLIER -76.92 -45.26 28.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.94 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -44.18 -46.36 8.14 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 6.7 ptp -75.75 -29.89 59.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.815 0.34 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.624 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 11.1 t -69.34 -30.71 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.556 ' HA ' HG23 ' A' ' 63' ' ' ILE . 5.4 mp -67.87 -23.01 65.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.4 ptp85 -96.29 15.24 21.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.536 ' SD ' ' CD1' ' A' ' 31' ' ' TYR . 58.0 mtp -97.61 164.86 12.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.872 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 42' ' ' ALA . 1.7 m-80 -149.58 167.56 26.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 41' ' ' ASN . . . -36.04 -47.19 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.102 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -50.7 -48.55 58.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -73.57 -56.06 5.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.007 HG21 ' CD2' ' A' ' 60' ' ' LEU . 70.3 t -46.68 -54.68 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -43.09 -46.48 5.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.62 -34.33 64.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.568 HD13 ' CD1' ' A' ' 26' ' ' PHE . 48.5 mt -60.52 -25.78 66.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 122.2 -27.85 5.99 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.47 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.742 ' H ' HD12 ' A' ' 50' ' ' ILE . 2.0 mp -70.82 104.65 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.865 0.365 . . . . 0.0 111.123 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.476 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 81.2 p -119.97 -17.31 8.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.532 ' O ' ' C ' ' A' ' 53' ' ' MET . 5.3 mp -50.06 99.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.532 ' C ' ' O ' ' A' ' 52' ' ' LEU . 19.8 mmt -27.54 -54.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.445 ' O ' ' HG2' ' A' ' 58' ' ' LYS . . . -51.44 -62.86 5.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.47 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.49 ' O ' ' N ' ' A' ' 58' ' ' LYS . 3.9 m-70 -61.09 -52.94 62.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.761 0.315 . . . . 0.0 110.839 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.476 ' NE2' ' HA ' ' A' ' 51' ' ' THR . 7.9 mt-30 -43.56 -30.64 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -79.52 -31.32 42.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -67.09 -55.43 14.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 179.844 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.416 HG21 ' HZ ' ' A' ' 26' ' ' PHE . 88.6 mt -58.42 -61.32 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.087 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 1.007 ' CD2' HG21 ' A' ' 45' ' ' VAL . 4.0 mm? -58.92 -60.67 3.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.426 ' O ' HG22 ' A' ' 65' ' ' THR . . . -41.5 -37.91 1.95 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.448 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.481 ' OG ' HG21 ' A' ' 17' ' ' ILE . 68.3 m -78.93 -28.24 43.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.86 0.362 . . . . 0.0 110.849 -179.732 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.556 HG23 ' HA ' ' A' ' 38' ' ' LEU . 68.5 mt -74.64 -50.25 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.186 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.427 ' HG2' ' N ' ' A' ' 65' ' ' THR . 3.2 pt20 -49.37 -41.63 39.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.427 ' N ' ' HG2' ' A' ' 64' ' ' GLN . 3.8 t -82.73 -36.44 25.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.493 ' SD ' ' NE1' ' A' ' 13' ' ' TRP . 9.4 mtp . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.583 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.4 pp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.909 0.385 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.522 ' O ' ' N ' ' A' ' 11' ' ' GLY . 8.8 t -110.79 148.51 32.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.161 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.676 HG12 HD12 ' A' ' 14' ' ' LEU . 55.0 t -36.02 -28.24 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.16 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -74.17 -49.28 12.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.494 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.437 ' CB ' ' HB2' ' A' ' 8' ' ' LEU . 4.1 t0 -49.87 -65.16 0.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 110.879 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.564 ' H ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -50.72 -62.14 1.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.947 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.676 HD12 HG12 ' A' ' 10' ' ' VAL . 54.2 mt -47.55 -39.69 17.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -53.48 -39.69 64.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.4 m -56.87 -37.23 71.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.832 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.607 HD11 HD23 ' A' ' 14' ' ' LEU . 15.5 pt -97.13 14.37 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.124 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? 54.86 28.85 10.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.417 ' HG2' ' CG1' ' A' ' 17' ' ' ILE . 23.1 mmm -110.61 5.18 20.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -51.63 -18.6 4.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.523 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.435 ' HB2' ' NH1' ' A' ' 21' ' ' ARG . 0.5 OUTLIER -62.02 -20.41 63.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 110.843 -179.883 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.589 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 41.5 m-85 -94.67 -11.01 30.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.987 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.418 ' HG3' HG12 ' A' ' 10' ' ' VAL . 17.8 ttt180 -41.52 -55.0 3.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.84 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -44.59 -34.87 2.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.589 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 12.9 m-70 -64.08 -60.8 2.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.512 ' CD2' HD11 ' A' ' 48' ' ' LEU . 33.2 m-85 -45.57 -43.43 12.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.86 -30.82 66.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.082 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.01 -40.71 53.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.93 1.8 29.46 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.454 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.74 22.57 20.68 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.612 ' CE1' ' SD ' ' A' ' 40' ' ' MET . 94.6 m-85 -119.76 105.51 11.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.91 0.386 . . . . 0.0 110.916 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.6 t -112.43 -11.38 13.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.846 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.549 ' O ' HG23 ' A' ' 37' ' ' VAL . 67.2 m -132.99 172.25 12.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.837 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.496 ' HG ' HD11 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -76.88 -34.79 57.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -44.62 -47.34 8.98 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.423 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.7 -33.48 40.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.842 0.353 . . . . 0.0 110.869 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 33' ' ' SER . 27.3 t -56.47 -34.14 40.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.678 HD13 HG23 ' A' ' 63' ' ' ILE . 2.1 mm? -76.66 -0.53 23.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.959 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -103.58 -18.58 14.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.612 ' SD ' ' CE1' ' A' ' 31' ' ' TYR . 0.4 OUTLIER -93.9 174.5 7.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.915 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.461 ' O ' ' C ' ' A' ' 42' ' ' ALA . 55.8 t30 -160.69 -179.98 8.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.461 ' C ' ' O ' ' A' ' 41' ' ' ASN . . . -33.01 -39.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.081 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 41' ' ' ASN . 41.8 mt-30 -58.33 -54.08 51.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 41' ' ' ASN . 54.1 m-20 -74.77 -45.14 45.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.664 HG21 HD21 ' A' ' 60' ' ' LEU . 59.3 t -50.28 -54.36 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.081 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 2.6 tmm_? -42.75 -42.24 3.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.95 -34.87 75.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.061 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.612 HD11 ' HE1' ' A' ' 40' ' ' MET . 73.6 mt -58.53 -29.75 66.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 122.66 -17.54 8.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.745 ' H ' HD12 ' A' ' 50' ' ' ILE . 2.8 mp -79.61 102.97 6.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.859 0.361 . . . . 0.0 111.16 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.492 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 72.9 p -119.91 -21.85 6.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 55' ' ' HIS . 2.7 mp -49.97 103.64 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.455 ' C ' ' O ' ' A' ' 52' ' ' LEU . 30.0 mmt -33.52 -53.48 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -51.05 -42.79 48.88 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.474 ' N ' ' O ' ' A' ' 52' ' ' LEU . 12.9 m170 -81.79 -60.5 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.775 0.321 . . . . 0.0 110.846 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.492 ' NE2' ' HA ' ' A' ' 51' ' ' THR . 12.8 mt-30 -36.56 -34.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -68.88 -47.28 66.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.472 ' HD2' ' N ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -56.32 -63.14 1.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 179.875 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.691 HD12 HG21 ' A' ' 50' ' ' ILE . 91.0 mt -49.62 -70.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.123 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.664 HD21 HG21 ' A' ' 45' ' ' VAL . 3.6 mm? -52.84 -60.2 3.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -40.32 -36.65 0.98 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.526 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.575 ' O ' HG22 ' A' ' 65' ' ' THR . 1.5 m -78.07 -36.72 47.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 0.0 110.845 -179.762 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.678 HG23 HD13 ' A' ' 38' ' ' LEU . 67.0 mt -65.65 -51.95 56.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.157 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -49.76 -39.54 38.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.575 HG22 ' O ' ' A' ' 62' ' ' SER . 10.4 t -82.67 -24.5 33.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.511 ' HB3' HD11 ' A' ' 38' ' ' LEU . 18.0 mtm . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.4 t -89.82 -49.63 6.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.36 . . . . 0.0 110.853 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.0 t -68.2 -58.16 4.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.25 119.44 0.56 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.503 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t -93.72 136.82 33.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.861 0.362 . . . . 0.0 110.924 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.0 p -107.3 146.14 31.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.97 -44.81 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.549 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.5 pp -109.64 -179.51 3.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.908 0.385 . . . . 0.0 110.922 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.48 HG23 ' H ' ' A' ' 12' ' ' ASP . 9.6 t -105.28 148.92 26.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.767 HG12 HD12 ' A' ' 14' ' ' LEU . 74.6 t -39.97 -25.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.094 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -76.71 -52.46 5.9 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.451 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.48 ' H ' HG23 ' A' ' 9' ' ' THR . 4.0 m-20 -47.93 -58.08 4.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.853 0.358 . . . . 0.0 110.854 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.665 ' CZ3' HG11 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -56.96 -63.44 1.21 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.767 HD12 HG12 ' A' ' 10' ' ' VAL . 37.8 mt -44.84 -41.27 6.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -53.63 -39.97 65.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.9 m -51.85 -41.19 61.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.607 HD12 ' HB3' ' A' ' 58' ' ' LYS . 25.7 pt -98.14 12.7 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.8 mtt85 60.7 38.42 18.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.429 ' CG ' HG13 ' A' ' 17' ' ' ILE . 31.8 mmt -118.72 -1.73 11.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.473 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -50.27 -20.47 3.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.516 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -58.75 -25.53 63.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.35 . . . . 0.0 110.855 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.512 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 38.6 m-85 -90.99 -11.6 38.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 22' ' ' TYR . 11.9 ttt-85 -34.68 -63.22 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.495 ' OD1' ' CD2' ' A' ' 25' ' ' HIS . 2.9 p30 -37.21 -41.68 0.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.834 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.512 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 19.1 m-70 -57.04 -57.86 10.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.579 ' CG ' ' CD1' ' A' ' 48' ' ' LEU . 25.7 m-85 -45.29 -49.84 12.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.28 -31.75 45.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.26 -36.69 46.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.49 5.07 38.85 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.466 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.81 20.12 34.98 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.474 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.703 ' CE2' ' CG ' ' A' ' 40' ' ' MET . 85.1 m-85 -122.01 107.23 11.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 110.904 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.6 t -112.96 -11.46 13.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.506 ' O ' HG23 ' A' ' 37' ' ' VAL . 13.5 m -133.31 175.44 9.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.86 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.488 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -80.9 -36.7 30.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -40.82 -35.65 0.96 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.77 -34.65 13.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.665 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 51.6 t -59.47 -35.24 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.912 HD11 ' HB3' ' A' ' 66' ' ' MET . 4.1 mm? -66.24 -24.32 66.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -102.01 19.91 17.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.703 ' CG ' ' CE2' ' A' ' 31' ' ' TYR . 36.6 mtp -95.56 174.34 7.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.463 ' O ' ' N ' ' A' ' 44' ' ' ASP . 0.6 OUTLIER -161.14 169.51 22.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.454 ' N ' HD21 ' A' ' 60' ' ' LEU . . . -36.78 -45.56 0.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.087 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -54.9 -43.16 72.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 41' ' ' ASN . 5.1 m-20 -77.92 -51.21 10.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 87.8 t -52.6 -54.39 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -47.17 -43.82 21.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.03 -36.7 70.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.579 ' CD1' ' CG ' ' A' ' 26' ' ' PHE . 18.5 mt -60.55 -22.9 64.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.959 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 119.51 -27.37 6.94 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.777 ' H ' HD12 ' A' ' 50' ' ' ILE . 2.5 mp -69.63 102.71 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.926 0.393 . . . . 0.0 111.072 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.469 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 52.2 p -118.01 -27.5 6.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.137 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.414 HD12 ' H ' ' A' ' 52' ' ' LEU . 5.2 mp -50.09 112.49 0.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.439 ' HA ' ' CE ' ' A' ' 53' ' ' MET . 11.8 mmm -43.13 -44.51 5.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -53.09 -34.66 47.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.484 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.495 ' O ' ' N ' ' A' ' 58' ' ' LYS . 13.0 m170 -96.92 -58.54 2.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.763 0.316 . . . . 0.0 110.833 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.469 ' NE2' ' HA ' ' A' ' 51' ' ' THR . 10.4 mt-30 -36.68 -40.86 0.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -62.74 -43.42 98.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.607 ' HB3' HD12 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -59.17 -64.81 0.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.903 179.89 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.603 HD12 HG21 ' A' ' 50' ' ' ILE . 72.0 mt -49.25 -64.4 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.454 HD21 ' N ' ' A' ' 42' ' ' ALA . 16.9 mt -52.3 -57.87 8.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -56.08 -28.9 54.84 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.542 ' HB2' HG21 ' A' ' 17' ' ' ILE . 29.6 t -77.13 -27.92 54.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.847 0.356 . . . . 0.0 110.858 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 84.3 mt -84.48 -48.29 16.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -49.54 -29.45 6.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.892 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 15.3 t -90.04 -30.0 18.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.912 ' HB3' HD11 ' A' ' 38' ' ' LEU . 11.7 mtm -66.55 -33.09 74.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.564 ' HB3' HD12 ' A' ' 38' ' ' LEU . 1.6 ptt180 -92.12 -31.7 15.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.97 -30.18 45.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.113 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.459 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 11.7 pt20 -75.44 -41.15 56.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.459 ' N ' ' HG3' ' A' ' 69' ' ' GLN . 28.0 mt -44.26 -37.27 3.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.484 ' O ' HG23 ' A' ' 71' ' ' THR . 3.0 t -153.74 100.57 2.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.113 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 27.1 p -67.72 176.13 2.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 85.2 m -159.43 112.11 2.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 61.39 45.62 8.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 148.34 -178.56 25.84 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.454 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.1 t -88.84 159.85 17.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.917 0.389 . . . . 0.0 110.886 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -134.13 -67.67 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.475 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.1 -26.2 25.21 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.763 2.309 . . . . 0.0 112.305 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.9 p -55.1 124.7 17.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 97.3 p -97.8 100.68 12.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.466 -179.998 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.4 t -98.34 -53.66 3.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.869 0.366 . . . . 0.0 110.88 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.4 t -65.6 -48.62 71.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.74 163.22 15.95 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.508 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.4 m -104.85 140.56 37.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 110.848 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -76.23 145.7 39.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.08 -76.75 0.19 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.48 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.571 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.4 pp -108.29 179.94 4.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.944 0.402 . . . . 0.0 110.866 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 11' ' ' GLY . 12.6 t -105.73 148.63 27.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.157 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.837 HG12 HD12 ' A' ' 14' ' ' LEU . 92.3 t -39.29 -25.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.157 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -76.42 -49.14 8.45 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.485 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.423 ' H ' HG23 ' A' ' 9' ' ' THR . 0.9 OUTLIER -51.16 -57.51 8.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.818 0.342 . . . . 0.0 110.89 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.599 ' CD1' ' SD ' ' A' ' 66' ' ' MET . 0.1 OUTLIER -58.45 -63.06 1.41 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.837 HD12 HG12 ' A' ' 10' ' ' VAL . 47.0 mt -44.82 -46.57 10.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.96 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -48.66 -44.56 37.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.1 t -51.98 -44.0 63.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.831 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.746 HG21 ' OG ' ' A' ' 62' ' ' SER . 40.2 pt -90.47 13.73 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.11 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 61.64 33.67 18.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.427 ' C ' ' HB3' ' A' ' 14' ' ' LEU . 28.4 mmt -119.48 -1.21 10.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.466 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -52.82 -21.48 9.92 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.446 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -63.14 -22.1 66.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.812 0.339 . . . . 0.0 110.876 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.541 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 36.4 m-85 -92.29 -10.09 39.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.929 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -38.27 -59.38 0.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -40.19 -38.13 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.828 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.541 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 16.1 m-70 -60.55 -59.95 4.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.599 ' CG ' HD13 ' A' ' 48' ' ' LEU . 34.2 m-85 -45.3 -47.14 13.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.864 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.77 -30.56 57.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.095 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.95 -36.8 56.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -77.96 6.44 48.74 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.481 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.18 14.6 57.27 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.518 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.548 ' CG ' ' SD ' ' A' ' 40' ' ' MET . 72.1 m-85 -119.99 103.4 9.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.928 0.394 . . . . 0.0 110.926 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 72.3 p -119.69 1.77 11.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.839 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.489 ' O ' HG23 ' A' ' 37' ' ' VAL . 8.7 m -132.8 167.46 20.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.485 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -79.89 -41.43 26.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -49.55 -35.73 22.86 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.491 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 7.6 ptp -88.88 -32.37 17.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.55 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 3.6 t -63.53 -36.53 76.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.3 mt -61.06 -15.28 30.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -98.1 -6.22 32.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.548 ' SD ' ' CG ' ' A' ' 31' ' ' TYR . 48.4 mtp -76.06 172.19 13.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 42' ' ' ALA . 66.9 m-80 -161.89 168.14 23.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.446 ' N ' HD21 ' A' ' 60' ' ' LEU . . . -33.66 -45.89 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.061 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -55.65 -53.61 54.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.97 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -69.69 -54.31 14.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 79.9 t -47.5 -54.21 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.417 ' C ' ' CD ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -47.31 -44.95 23.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.916 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.71 -32.87 65.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.599 HD13 ' CG ' ' A' ' 26' ' ' PHE . 51.9 mt -63.63 -23.65 67.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 121.25 -28.2 6.12 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.519 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.819 HG21 HD12 ' A' ' 59' ' ' ILE . 2.9 mp -68.04 102.53 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.909 0.385 . . . . 0.0 111.15 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.48 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 59.5 p -119.65 -23.26 6.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.133 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 53' ' ' MET . 3.8 mm? -50.25 113.61 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.877 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.497 ' O ' ' CG ' ' A' ' 57' ' ' LYS . 0.1 OUTLIER -35.85 -52.99 0.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.401 ' O ' ' HD3' ' A' ' 58' ' ' LYS . . . -54.92 -48.22 68.16 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.464 ' CD2' ' N ' ' A' ' 55' ' ' HIS . 7.2 m170 -70.24 -60.77 2.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.774 0.321 . . . . 0.0 110.846 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.494 ' CG ' ' O ' ' A' ' 50' ' ' ILE . 17.5 mt-30 -46.4 -40.85 12.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.497 ' CG ' ' O ' ' A' ' 53' ' ' MET . 22.5 mmtt -62.48 -48.59 78.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.431 ' HD2' ' N ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -58.62 -59.52 5.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.878 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.819 HD12 HG21 ' A' ' 50' ' ' ILE . 63.5 mt -54.1 -65.29 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.446 HD21 ' N ' ' A' ' 42' ' ' ALA . 59.2 mt -52.52 -59.62 4.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -54.26 -29.28 45.28 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.746 ' OG ' HG21 ' A' ' 17' ' ' ILE . 37.9 m -80.05 -27.36 39.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.815 0.341 . . . . 0.0 110.85 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 94.1 mt -81.02 -49.38 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.48 ' HA ' ' CZ ' ' A' ' 67' ' ' ARG . 0.3 OUTLIER -49.88 -37.67 32.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.958 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.447 ' N ' ' HG3' ' A' ' 64' ' ' GLN . 10.0 t -84.19 -30.97 25.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.165 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.599 ' SD ' ' CD1' ' A' ' 13' ' ' TRP . 10.4 mtp -66.48 -29.7 69.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.845 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.592 ' HA ' HD12 ' A' ' 70' ' ' LEU . 3.9 ptt-85 -94.64 -34.6 12.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.04 -36.21 78.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.081 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.475 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 7.7 pt20 -59.53 -39.34 83.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.592 HD12 ' HA ' ' A' ' 67' ' ' ARG . 10.6 mt -58.3 -58.21 9.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 67.3 p -51.3 -46.79 62.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.175 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 91.1 p -114.71 102.79 10.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.2 t -144.37 151.24 39.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.146 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 75' ' ' GLY . 1.9 mp0 -74.24 167.19 22.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 74' ' ' GLN . . . -37.73 119.38 0.71 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.525 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.7 t -92.02 171.89 8.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.895 0.379 . . . . 0.0 110.877 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -154.02 -66.55 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.452 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.06 155.4 8.85 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.757 2.304 . . . . 0.0 112.274 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 92.1 p -154.61 179.6 8.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 41.7 p -90.72 142.08 28.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.461 179.98 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 3' ' ' SER . 89.0 p -78.22 114.43 17.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.935 0.398 . . . . 0.0 110.834 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 2' ' ' SER . 27.9 t -36.51 -57.09 0.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.865 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.11 148.47 16.97 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.491 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -107.21 115.75 30.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.888 0.375 . . . . 0.0 110.821 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.7 m -73.99 109.34 7.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.37 -57.16 0.6 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.507 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.565 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.3 pp -112.03 179.41 4.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.507 HG23 ' H ' ' A' ' 12' ' ' ASP . 9.6 t -104.97 147.05 28.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.725 HG12 HD12 ' A' ' 14' ' ' LEU . 63.8 t -37.45 -33.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -68.39 -54.7 15.01 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.492 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.507 ' H ' HG23 ' A' ' 9' ' ' THR . 0.9 OUTLIER -45.73 -62.21 1.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.762 0.315 . . . . 0.0 110.881 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.599 ' HZ3' HG13 ' A' ' 10' ' ' VAL . 0.1 OUTLIER -52.1 -62.49 1.6 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.725 HD12 HG12 ' A' ' 10' ' ' VAL . 52.1 mt -47.49 -36.21 9.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -56.82 -37.78 71.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.6 t -57.03 -40.71 77.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.559 HG21 ' HB2' ' A' ' 62' ' ' SER . 17.0 pt -94.9 18.71 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.185 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 45.0 mtm180 54.02 35.24 21.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.441 ' CG ' HD12 ' A' ' 17' ' ' ILE . 39.5 mmm -119.63 2.88 11.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -51.21 -17.67 2.75 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.505 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -62.8 -25.41 68.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.777 0.322 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.487 ' CD1' HG13 ' A' ' 50' ' ' ILE . 39.5 m-85 -91.66 -8.54 46.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -45.99 -42.57 13.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.873 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -57.35 -31.55 65.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.411 ' CE1' ' HD1' ' A' ' 22' ' ' TYR . 5.8 m80 -66.65 -54.9 18.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.613 ' CD1' ' CD1' ' A' ' 48' ' ' LEU . 21.0 m-85 -46.76 -45.87 20.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.51 -29.27 61.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.078 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.57 -34.8 40.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.108 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.15 8.85 50.23 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.9 15.05 58.5 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.544 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.602 ' CD2' ' SD ' ' A' ' 40' ' ' MET . 75.1 m-85 -121.25 105.46 10.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.935 0.398 . . . . 0.0 110.889 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.431 ' C ' HG23 ' A' ' 10' ' ' VAL . 3.2 t -117.69 -12.66 10.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.882 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.584 ' O ' HG23 ' A' ' 37' ' ' VAL . 9.0 m -120.63 169.97 9.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.491 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -80.99 -42.24 21.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.874 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -47.1 -30.76 5.53 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.478 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 8.0 ptp -94.39 -23.18 17.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.798 0.332 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 33' ' ' SER . 12.7 t -72.05 -32.11 42.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.149 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.908 HD12 ' HB3' ' A' ' 67' ' ' ARG . 4.3 mm? -66.1 -21.66 66.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -98.0 19.79 13.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.602 ' SD ' ' CD2' ' A' ' 31' ' ' TYR . 23.1 mtp -103.5 162.79 12.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -148.07 -179.6 7.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.472 ' HA ' HD11 ' A' ' 60' ' ' LEU . . . -42.46 -44.5 4.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -57.46 -47.82 80.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.435 ' CB ' ' HE3' ' A' ' 40' ' ' MET . 26.4 m-20 -70.22 -58.16 4.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.8 t -50.17 -54.06 9.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.873 ' HD2' HG22 ' A' ' 51' ' ' THR . 14.5 tpt180 -49.84 -41.02 44.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.29 -37.68 75.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.079 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.613 ' CD1' ' CD1' ' A' ' 26' ' ' PHE . 38.5 mt -58.7 -25.84 63.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.414 ' O ' HG23 ' A' ' 51' ' ' THR . . . 124.33 -23.6 6.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.482 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.746 ' H ' HD12 ' A' ' 50' ' ' ILE . 2.9 mp -72.5 103.63 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.895 0.379 . . . . 0.0 111.09 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.873 HG22 ' HD2' ' A' ' 46' ' ' ARG . 1.5 p -118.37 -28.57 5.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.117 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 53' ' ' MET . 2.3 mt -50.87 109.63 0.34 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.424 ' C ' ' O ' ' A' ' 52' ' ' LEU . 37.2 mmt -36.57 -56.6 0.81 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -42.77 -40.18 3.88 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.487 ' O ' ' N ' ' A' ' 58' ' ' LYS . 21.4 m170 -89.58 -58.62 2.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.74 0.305 . . . . 0.0 110.843 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.491 ' NE2' ' HA ' ' A' ' 51' ' ' THR . 11.2 mt-30 -39.66 -41.04 1.0 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -65.45 -37.62 87.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.535 ' HB3' HD12 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -64.85 -62.05 1.8 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.915 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.537 HD12 HG21 ' A' ' 50' ' ' ILE . 77.6 mt -52.19 -58.1 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.127 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.472 HD11 ' HA ' ' A' ' 42' ' ' ALA . 18.6 mt -59.7 -58.27 9.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -54.67 -28.22 45.32 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.456 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.559 ' HB2' HG21 ' A' ' 17' ' ' ILE . 23.3 t -76.63 -25.63 54.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.897 0.379 . . . . 0.0 110.889 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.709 HG23 HD13 ' A' ' 38' ' ' LEU . 82.3 mt -86.04 -49.77 14.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.182 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -46.52 -30.37 2.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.941 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.8 t -88.63 -30.75 18.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.6 ' HB3' HD11 ' A' ' 38' ' ' LEU . 15.4 mtm -65.77 -36.35 83.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.908 ' HB3' HD12 ' A' ' 38' ' ' LEU . 2.0 ptt180 -87.55 -36.41 17.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.14 -33.66 67.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.076 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -80.1 -21.32 43.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.594 HD12 ' HA ' ' A' ' 67' ' ' ARG . 12.9 mt -73.2 -14.83 61.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 56.1 p -112.89 19.16 17.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.16 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.01 161.27 8.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.2 t -83.74 -39.16 20.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.137 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 51.1 tp60 -163.55 139.46 6.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 110.58 69.55 0.6 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 54.3 m -143.13 162.18 36.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.919 0.39 . . . . 0.0 110.873 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.49 69.64 1.3 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.468 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.07 -46.53 31.94 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.788 2.325 . . . . 0.0 112.287 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 35.8 t -138.38 108.41 6.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 75.8 p -103.28 127.29 50.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.865 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.51 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m -147.28 154.55 41.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.876 0.369 . . . . 0.0 110.875 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t 69.24 42.17 1.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.876 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.41 -162.95 48.16 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.447 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.4 p -63.99 146.3 54.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.902 0.382 . . . . 0.0 110.864 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 t -50.68 -49.35 57.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.44 -40.53 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.449 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.595 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.3 pp -119.59 -178.71 3.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.91 0.386 . . . . 0.0 110.927 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.533 ' O ' ' N ' ' A' ' 11' ' ' GLY . 9.7 t -106.22 148.1 28.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.792 HG12 HD12 ' A' ' 14' ' ' LEU . 68.0 t -35.39 -29.15 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.133 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -72.07 -51.61 13.74 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.442 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.464 ' HB3' HD13 ' A' ' 8' ' ' LEU . 5.4 t0 -48.07 -64.86 0.68 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.848 0.356 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.576 ' CH2' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -50.87 -63.64 1.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.792 HD12 HG12 ' A' ' 10' ' ' VAL . 47.6 mt -44.77 -42.12 7.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -52.85 -39.72 62.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.7 t -52.06 -44.49 64.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.575 HD12 ' HB3' ' A' ' 58' ' ' LYS . 34.2 pt -94.04 14.28 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.12 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 48.4 mtp180 60.29 37.15 20.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.401 ' CG ' HG13 ' A' ' 17' ' ' ILE . 32.0 mmt -118.67 -1.82 11.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.444 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -51.14 -20.71 4.93 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.487 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -60.44 -25.18 65.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 0.0 110.865 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.46 ' CD1' HG13 ' A' ' 50' ' ' ILE . 33.9 m-85 -90.55 -9.91 45.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 22' ' ' TYR . 24.2 ttt180 -37.94 -60.64 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -39.2 -38.11 0.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.826 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.472 ' HD2' ' O ' ' A' ' 48' ' ' LEU . 14.4 m80 -61.12 -58.41 8.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.62 ' CG ' ' CD1' ' A' ' 48' ' ' LEU . 23.7 m-85 -46.02 -47.0 16.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.65 -29.66 59.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.121 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.43 -34.96 41.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.48 8.18 49.26 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.23 16.67 57.12 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.517 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.592 ' CD1' ' SD ' ' A' ' 40' ' ' MET . 80.1 m-85 -121.51 101.69 7.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.848 0.356 . . . . 0.0 110.914 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 60.2 p -114.57 -9.68 12.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.591 ' O ' HG23 ' A' ' 37' ' ' VAL . 12.4 m -123.35 168.5 12.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.823 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.61 HD12 ' SD ' ' A' ' 66' ' ' MET . 0.3 OUTLIER -78.2 -43.29 28.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.874 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -46.11 -45.2 14.98 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 7.6 ptp -78.55 -20.86 49.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 33' ' ' SER . 10.8 t -75.96 -37.24 33.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.641 ' CD1' HD12 ' A' ' 70' ' ' LEU . 41.3 mt -61.9 -19.27 62.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -101.49 19.9 17.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.592 ' SD ' ' CD1' ' A' ' 31' ' ' TYR . 37.7 mtp -99.49 166.43 11.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.477 ' O ' ' N ' ' A' ' 44' ' ' ASP . 2.2 m-80 -151.25 168.24 25.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.782 ' HA ' HD11 ' A' ' 60' ' ' LEU . . . -34.33 -48.12 0.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -53.68 -45.7 70.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 41' ' ' ASN . 66.3 m-20 -72.19 -59.7 2.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.1 t -48.15 -53.85 5.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.84 -44.16 28.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.86 -35.31 68.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.075 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.62 ' CD1' ' CG ' ' A' ' 26' ' ' PHE . 22.7 mt -60.49 -25.47 66.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 124.03 -27.2 5.68 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.776 ' H ' HD12 ' A' ' 50' ' ' ILE . 2.9 mp -70.16 103.25 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.9 0.381 . . . . 0.0 111.153 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.479 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 44.4 p -117.91 -28.2 5.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.9 mp -50.05 115.38 1.39 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.934 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 35.6 mmt -43.8 -48.74 8.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -52.14 -31.09 32.96 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.476 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.468 ' O ' ' N ' ' A' ' 58' ' ' LYS . 14.0 m170 -97.0 -62.49 1.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.752 0.31 . . . . 0.0 110.86 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.492 ' CG ' ' O ' ' A' ' 50' ' ' ILE . 12.9 mt-30 -36.73 -47.35 0.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -57.52 -43.24 84.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.575 ' HB3' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -60.38 -64.52 0.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.906 179.832 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.732 HD12 HG21 ' A' ' 50' ' ' ILE . 74.0 mt -50.99 -63.45 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.782 HD11 ' HA ' ' A' ' 42' ' ' ALA . 15.5 mt -55.94 -59.91 4.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -51.84 -32.48 33.62 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.545 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.463 ' HB2' HG21 ' A' ' 17' ' ' ILE . 24.6 t -71.93 -34.23 68.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.849 0.357 . . . . 0.0 110.867 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.576 HD11 ' CH2' ' A' ' 13' ' ' TRP . 62.2 mt -79.04 -54.77 11.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -38.9 -34.06 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 15.0 t -94.24 -27.15 16.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.61 ' SD ' HD12 ' A' ' 34' ' ' LEU . 4.1 ttm -62.08 -33.75 75.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -83.81 -37.87 21.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.829 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -38.83 -50.15 1.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.442 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 14.8 pt20 -59.88 -36.06 76.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.641 HD12 ' CD1' ' A' ' 38' ' ' LEU . 15.4 mt -72.59 -51.14 20.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 68.2 p -48.8 -47.59 41.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.3 t -71.57 170.08 14.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.403 HG23 ' N ' ' A' ' 74' ' ' GLN . 10.2 t -61.58 -40.71 95.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.159 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.403 ' N ' HG23 ' A' ' 73' ' ' THR . 3.6 tp-100 -54.64 154.63 4.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -136.35 -38.61 0.16 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.502 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 97.1 p 51.16 43.07 29.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.864 0.364 . . . . 0.0 110.881 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -162.1 156.33 27.87 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.05 144.55 36.79 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.751 2.301 . . . . 0.0 112.339 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.4 t -70.91 103.14 2.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 94.1 p -98.46 104.24 16.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.854 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.474 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.5 t -137.32 125.49 23.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.898 0.38 . . . . 0.0 110.891 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.0 m -81.6 -46.31 14.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.01 49.44 0.48 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.457 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 t -117.89 134.29 55.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.815 0.34 . . . . 0.0 110.862 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 t -81.35 107.86 14.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.83 62.16 0.29 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.529 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.555 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.4 pp -119.11 -178.89 3.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.932 0.396 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 11' ' ' GLY . 12.8 t -106.16 147.45 29.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.709 HG12 HD12 ' A' ' 14' ' ' LEU . 78.8 t -38.72 -25.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -75.85 -51.64 6.92 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.43 ' H ' HG23 ' A' ' 9' ' ' THR . 5.7 m-20 -49.2 -58.46 4.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.803 0.335 . . . . 0.0 110.847 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.577 ' CE3' ' HG ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.06 -63.56 1.14 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.709 HD12 HG12 ' A' ' 10' ' ' VAL . 39.1 mt -44.97 -42.84 8.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.939 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -51.01 -42.57 60.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.4 t -52.64 -41.22 63.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.769 HD12 ' HG3' ' A' ' 19' ' ' MET . 24.8 pt -96.39 18.45 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.135 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 47.1 mtt85 55.85 33.56 21.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.769 ' HG3' HD12 ' A' ' 17' ' ' ILE . 34.3 mmt -115.09 -2.17 12.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.475 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -50.51 -25.81 9.23 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -57.81 -25.97 61.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.851 0.358 . . . . 0.0 110.857 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.543 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 32.9 m-85 -88.74 -10.51 48.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -39.14 -57.8 1.26 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -41.51 -37.61 1.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.543 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 15.5 m-70 -61.05 -60.0 4.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.594 ' CG ' HD13 ' A' ' 48' ' ' LEU . 31.3 m-85 -44.62 -45.99 9.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.25 -32.65 56.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.28 -39.09 60.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.87 3.36 36.58 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.5 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.53 16.76 51.75 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.467 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.544 ' CG ' ' SD ' ' A' ' 40' ' ' MET . 85.3 m-85 -118.94 107.96 14.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.898 0.38 . . . . 0.0 110.946 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.2 t -119.96 -10.39 9.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.85 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.503 ' O ' HG23 ' A' ' 37' ' ' VAL . 14.8 m -122.23 169.04 11.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.49 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -81.67 -41.26 21.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.884 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -48.84 -30.07 8.73 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.431 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.409 ' SD ' ' HA ' ' A' ' 31' ' ' TYR . 15.3 ptp -94.38 -26.02 16.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.339 . . . . 0.0 110.856 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 33' ' ' SER . 5.7 t -69.04 -42.17 81.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.771 HD13 HG23 ' A' ' 63' ' ' ILE . 3.4 mm? -56.46 -22.35 31.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.873 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.7 mmt85 -87.96 -18.05 29.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.544 ' SD ' ' CG ' ' A' ' 31' ' ' TYR . 39.5 mtp -65.21 179.27 0.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.507 ' O ' ' N ' ' A' ' 44' ' ' ASP . 0.9 OUTLIER -169.09 164.46 11.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.76 ' HA ' HD21 ' A' ' 60' ' ' LEU . . . -32.81 -37.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.075 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 41' ' ' ASN . 9.1 tm0? -63.09 -48.89 76.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 41' ' ' ASN . 66.1 m-20 -77.3 -44.36 29.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.616 HG11 HD11 ' A' ' 60' ' ' LEU . 42.8 t -53.48 -55.38 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.679 ' HG2' HG22 ' A' ' 51' ' ' THR . 4.5 tmm_? -47.52 -45.09 26.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.87 -34.77 60.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.074 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.594 HD13 ' CG ' ' A' ' 26' ' ' PHE . 36.4 mt -63.89 -25.31 68.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 123.49 -30.24 4.99 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.511 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.739 ' H ' HD12 ' A' ' 50' ' ' ILE . 2.3 mp -66.25 101.66 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.873 0.368 . . . . 0.0 111.151 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.679 HG22 ' HG2' ' A' ' 46' ' ' ARG . 74.4 p -119.98 -18.72 8.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.464 ' O ' ' C ' ' A' ' 53' ' ' MET . 3.6 mm? -50.33 107.38 0.16 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.464 ' C ' ' O ' ' A' ' 52' ' ' LEU . 0.3 OUTLIER -32.36 -55.23 0.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.904 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -53.79 -49.11 59.56 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -68.93 -59.36 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.735 0.303 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.494 ' O ' HD13 ' A' ' 60' ' ' LEU . 19.5 mt-30 -45.37 -32.09 1.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.936 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -70.42 -34.16 72.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.468 ' N ' ' HD3' ' A' ' 58' ' ' LYS . 5.9 mmtt -73.52 -56.4 5.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.657 HD12 HG21 ' A' ' 50' ' ' ILE . 63.4 mt -55.08 -60.17 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.126 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.76 HD21 ' HA ' ' A' ' 42' ' ' ALA . 9.6 mp -62.05 -52.12 65.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -55.71 -35.37 62.44 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.45 ' O ' ' CG2' ' A' ' 65' ' ' THR . 10.0 t -75.62 -36.85 60.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.883 0.373 . . . . 0.0 110.855 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.771 HG23 HD13 ' A' ' 38' ' ' LEU . 89.8 mt -69.92 -53.49 23.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.155 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.446 ' HG3' ' N ' ' A' ' 65' ' ' THR . 0.0 OUTLIER -48.29 -32.53 7.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.45 ' CG2' ' O ' ' A' ' 62' ' ' SER . 9.5 t -87.64 -38.33 15.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.488 ' HB3' HD11 ' A' ' 38' ' ' LEU . 18.6 mtm -55.47 -33.99 64.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.736 ' HB3' HD12 ' A' ' 38' ' ' LEU . 3.2 ptm180 -92.61 -35.18 13.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -47.59 -32.26 5.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.081 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.451 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 7.7 pt20 -61.27 -38.74 87.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.451 ' N ' ' HG3' ' A' ' 69' ' ' GLN . 6.9 mp -57.76 -47.21 83.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 79.7 p -75.41 -56.12 5.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.4 t -108.35 121.01 44.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.82 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.9 p -70.31 131.44 44.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.192 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 43.0 tp60 -80.25 -53.31 6.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 53.03 51.52 45.59 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.518 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.7 t -115.99 -38.47 3.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.914 0.388 . . . . 0.0 110.875 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 179.48 95.53 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.16 146.79 29.6 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.723 2.282 . . . . 0.0 112.302 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.7 t 69.97 -170.03 0.17 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.4 t -109.64 112.49 24.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.457 179.97 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.8 p -80.69 115.03 19.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.905 0.383 . . . . 0.0 110.897 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.5 p -65.89 -45.11 83.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.85 -112.33 0.68 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.0 p -91.48 132.47 36.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.919 0.39 . . . . 0.0 110.809 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 t -91.91 123.82 35.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.07 72.1 0.18 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.605 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.3 pp -112.29 -179.65 3.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.908 0.385 . . . . 0.0 110.944 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 11' ' ' GLY . 9.9 t -105.59 145.92 30.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.183 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.715 HG12 HD12 ' A' ' 14' ' ' LEU . 69.8 t -36.86 -28.32 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.075 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -72.73 -48.03 23.88 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.452 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.429 ' H ' HG23 ' A' ' 9' ' ' THR . 0.6 OUTLIER -53.03 -63.78 1.04 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.801 0.334 . . . . 0.0 110.866 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.601 ' CE3' ' HG ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -50.57 -60.11 3.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.968 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.715 HD12 HG12 ' A' ' 10' ' ' VAL . 40.5 mt -48.11 -49.21 32.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -49.15 -37.47 22.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.8 t -53.92 -46.73 71.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.496 HG21 ' HB2' ' A' ' 62' ' ' SER . 46.9 pt -91.9 16.95 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.153 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.3 mtm-85 63.23 31.57 15.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.435 ' C ' ' HB3' ' A' ' 14' ' ' LEU . 32.6 mmt -115.63 -0.27 13.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.412 ' HA2' ' CB ' ' A' ' 14' ' ' LEU . . . -52.57 -14.4 2.41 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.485 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -69.09 -25.88 64.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.839 0.352 . . . . 0.0 110.879 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.574 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 43.1 m-85 -92.86 -6.94 47.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.49 ' CG ' ' N ' ' A' ' 24' ' ' ASP . 4.6 ptm180 -43.38 -50.45 6.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.49 ' N ' ' CG ' ' A' ' 23' ' ' ARG . 6.0 t0 -50.27 -35.25 26.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.574 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 13.4 m-70 -62.45 -56.74 15.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.661 ' CE2' ' HE1' ' A' ' 40' ' ' MET . 24.6 m-85 -46.48 -48.97 18.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.95 -35.29 66.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.088 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.59 -33.14 64.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.074 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.63 5.42 64.8 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.467 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.35 14.12 49.15 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.539 ' CD1' ' SD ' ' A' ' 40' ' ' MET . 68.1 m-85 -122.29 100.37 6.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.914 0.388 . . . . 0.0 110.924 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 42.1 m -110.58 -9.48 14.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.896 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.495 ' O ' HG23 ' A' ' 37' ' ' VAL . 11.5 m -123.33 169.16 11.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.855 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.514 HD12 ' SD ' ' A' ' 66' ' ' MET . 0.3 OUTLIER -78.04 -44.85 25.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -44.95 -45.82 9.3 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.511 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 6.7 ptp -76.82 -22.55 53.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.506 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 11.3 t -77.67 -29.16 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.127 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.505 ' HA ' HG23 ' A' ' 63' ' ' ILE . 5.9 mp -68.8 -23.02 64.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -97.43 15.56 22.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.661 ' HE1' ' CE2' ' A' ' 26' ' ' PHE . 54.2 mtp -94.53 173.04 7.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.498 ' O ' ' N ' ' A' ' 44' ' ' ASP . 57.3 m-80 -155.35 166.58 33.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 41' ' ' ASN . . . -34.06 -48.55 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.07 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -53.94 -44.71 70.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.498 ' N ' ' O ' ' A' ' 41' ' ' ASN . 0.5 OUTLIER -72.64 -60.74 2.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 77.0 t -47.94 -53.01 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.469 ' HG2' HG22 ' A' ' 51' ' ' THR . 0.0 OUTLIER -47.83 -44.89 29.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.17 -32.55 64.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.094 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.586 ' CD1' ' CG ' ' A' ' 26' ' ' PHE . 59.3 mt -63.17 -23.2 67.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 121.03 -23.69 7.65 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.499 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.777 HG21 HD12 ' A' ' 59' ' ' ILE . 2.7 mp -74.87 103.72 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 111.153 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.469 HG22 ' HG2' ' A' ' 46' ' ' ARG . 48.4 p -119.85 -23.87 6.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.487 HD22 ' CE1' ' A' ' 55' ' ' HIS . 5.2 mp -50.02 116.02 1.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 17.9 mmt -44.39 -53.0 7.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.413 ' O ' ' CG ' ' A' ' 58' ' ' LYS . . . -52.12 -26.1 19.45 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.482 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.487 ' CE1' HD22 ' A' ' 52' ' ' LEU . 37.5 m170 -97.69 -64.93 1.0 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.736 0.303 . . . . 0.0 110.863 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.449 ' CD ' ' HA ' ' A' ' 51' ' ' THR . 17.2 mt-30 -39.25 -45.26 1.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -56.26 -39.68 73.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.517 ' HD2' ' N ' ' A' ' 58' ' ' LYS . 4.2 mmmm -69.32 -62.29 1.44 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.777 HD12 HG21 ' A' ' 50' ' ' ILE . 87.0 mt -48.02 -54.95 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.422 HD11 ' HA ' ' A' ' 42' ' ' ALA . 13.2 mt -62.81 -56.66 15.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.35 -22.63 51.54 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.499 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.496 ' HB2' HG21 ' A' ' 17' ' ' ILE . 29.2 t -82.4 -24.37 34.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.804 0.335 . . . . 0.0 110.819 -179.72 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.505 HG23 ' HA ' ' A' ' 38' ' ' LEU . 96.0 mt -84.24 -55.42 7.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.142 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.456 ' O ' ' HB2' ' A' ' 68' ' ' ALA . 8.7 pt20 -39.55 -39.52 0.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.6 t -78.4 -32.33 48.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.514 ' SD ' HD12 ' A' ' 34' ' ' LEU . 23.5 mtm -64.93 -34.91 79.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.4 ptt180 -93.32 -36.46 12.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.456 ' HB2' ' O ' ' A' ' 64' ' ' GLN . . . -41.27 -38.89 1.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.469 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 8.4 pt20 -62.89 -43.94 97.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.469 ' N ' ' HG3' ' A' ' 69' ' ' GLN . 41.9 mt -49.4 -64.44 0.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.6 t -62.44 -42.54 99.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.124 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.5 t -64.61 129.0 38.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.0 m -57.02 115.35 2.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.127 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -147.93 110.07 4.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -105.71 136.28 13.12 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.48 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 88.3 p -149.88 118.07 6.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.928 0.394 . . . . 0.0 110.855 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -112.12 95.58 0.8 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.486 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.08 178.8 0.04 OUTLIER 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.708 2.272 . . . . 0.0 112.324 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 54.1 p -148.38 155.38 41.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 46.0 t -79.23 134.96 36.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.49 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.0 p 50.18 42.42 25.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.907 0.384 . . . . 0.0 110.822 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.7 t -47.89 -46.92 32.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.03 71.69 0.27 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.6 p -113.59 142.41 46.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.867 0.365 . . . . 0.0 110.815 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.2 p -124.66 171.4 10.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.815 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.28 71.29 0.22 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.467 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.546 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.5 pp -109.24 -177.89 3.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.928 0.394 . . . . 0.0 110.914 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 11' ' ' GLY . 11.6 t -107.02 148.17 29.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.676 HG12 HD12 ' A' ' 14' ' ' LEU . 46.2 t -39.37 -25.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -76.86 -49.34 7.82 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.471 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.456 ' H ' HG23 ' A' ' 9' ' ' THR . 1.0 OUTLIER -50.66 -59.8 3.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.806 0.336 . . . . 0.0 110.849 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.58 ' CZ3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -55.47 -63.94 1.0 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.676 HD12 HG12 ' A' ' 10' ' ' VAL . 45.9 mt -44.58 -45.95 9.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -50.39 -45.26 55.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 53.5 m -51.21 -47.87 62.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.836 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.575 HD12 ' HG3' ' A' ' 19' ' ' MET . 26.3 pt -84.37 12.5 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.5 mtm180 61.54 33.77 18.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.575 ' HG3' HD12 ' A' ' 17' ' ' ILE . 31.2 mmt -119.66 2.17 11.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -51.94 -20.62 6.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.1 ptp85 -62.31 -24.81 67.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.348 . . . . 0.0 110.874 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.599 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 32.6 m-85 -89.49 -10.54 45.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.95 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.461 ' CD ' ' HB ' ' A' ' 10' ' ' VAL . 8.9 tpt180 -42.47 -55.98 3.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.852 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -42.93 -32.9 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.599 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 11.9 m-70 -66.38 -59.45 3.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.805 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.625 ' CG ' ' CD1' ' A' ' 48' ' ' LEU . 25.8 m-85 -47.25 -44.06 22.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.55 -29.73 59.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.79 -39.23 24.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.4 0.2 34.53 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.526 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.07 18.66 36.11 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.454 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.594 ' CD1' ' SD ' ' A' ' 40' ' ' MET . 78.7 m-85 -120.52 100.92 7.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.878 0.371 . . . . 0.0 110.875 -179.744 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.0 t -112.28 -13.19 13.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.6 m -119.11 167.23 12.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.492 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -78.51 -42.51 29.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.908 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -47.2 -44.11 19.62 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.516 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 8.0 ptp -77.75 -24.37 49.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.812 0.339 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.58 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 7.7 t -76.4 -30.43 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.118 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.46 ' HG ' ' CA ' ' A' ' 67' ' ' ARG . 1.7 mp -66.64 -20.97 66.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -99.62 15.4 26.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.594 ' SD ' ' CD1' ' A' ' 31' ' ' TYR . 27.2 mtp -96.7 171.05 8.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.456 ' O ' ' C ' ' A' ' 42' ' ' ALA . 58.8 m-80 -157.0 165.24 36.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.503 ' N ' HD21 ' A' ' 60' ' ' LEU . . . -33.27 -44.92 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -52.32 -52.12 54.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 41' ' ' ASN . 32.5 m-20 -72.23 -51.68 19.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.1 t -48.56 -55.55 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -43.55 -47.27 7.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.11 -34.21 55.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.147 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.625 ' CD1' ' CG ' ' A' ' 26' ' ' PHE . 19.3 mt -62.7 -27.5 69.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 123.88 -29.09 5.25 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.532 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.742 ' H ' HD12 ' A' ' 50' ' ' ILE . 2.1 mp -68.2 99.96 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.869 0.366 . . . . 0.0 111.107 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.442 ' HA ' ' CD ' ' A' ' 56' ' ' GLN . 47.9 p -116.7 -27.45 6.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.178 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.3 mt -50.1 112.3 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.434 ' HA ' ' CE ' ' A' ' 53' ' ' MET . 25.1 mmt -42.66 -44.47 4.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -52.49 -35.47 44.7 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.499 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.502 ' O ' ' N ' ' A' ' 58' ' ' LYS . 17.8 m170 -95.79 -60.08 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.748 0.309 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.489 ' CG ' ' O ' ' A' ' 50' ' ' ILE . 11.1 mt-30 -36.71 -39.76 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -62.8 -43.53 98.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.2 OUTLIER -59.87 -67.71 0.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.832 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.555 HD12 HG21 ' A' ' 50' ' ' ILE . 73.2 mt -45.5 -62.58 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.503 HD21 ' N ' ' A' ' 42' ' ' ALA . 16.6 mt -54.56 -56.98 13.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -50.82 -35.31 31.13 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.403 ' O ' ' SD ' ' A' ' 66' ' ' MET . 4.6 t -78.84 -31.13 45.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 0.0 110.85 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 85.6 mt -75.71 -58.19 4.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.147 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.424 ' HG3' ' N ' ' A' ' 65' ' ' THR . 1.6 pp0? -39.82 -39.36 0.79 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.457 HG23 ' N ' ' A' ' 66' ' ' MET . 9.4 t -84.42 -42.98 15.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.457 ' N ' HG23 ' A' ' 65' ' ' THR . 11.0 mtp -54.74 -37.36 65.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.46 ' CA ' ' HG ' ' A' ' 38' ' ' LEU . 7.9 ptt180 -81.05 -35.35 31.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.89 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.42 ' N ' ' HG3' ' A' ' 67' ' ' ARG . . . -44.91 -42.23 7.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.471 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 16.6 pt20 -45.14 -44.44 10.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.471 ' N ' ' HG3' ' A' ' 69' ' ' GLN . 8.2 mt -54.08 -40.51 67.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.647 ' O ' HG23 ' A' ' 71' ' ' THR . 10.1 t -152.16 99.96 2.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 65.4 p -111.66 165.88 11.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.9 t -86.26 149.49 25.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.161 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -83.36 111.99 19.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -102.16 -88.23 2.03 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.479 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 54.9 p -142.05 147.34 36.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.948 0.404 . . . . 0.0 110.835 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -64.33 112.27 4.86 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.519 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.07 166.24 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.725 2.283 . . . . 0.0 112.295 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 70.0 p -118.57 164.51 15.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.835 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 29.1 t -113.12 145.09 41.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.367 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.472 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.6 t -56.58 -45.2 81.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.892 0.377 . . . . 0.0 110.832 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -109.91 103.92 12.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.837 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.68 138.58 6.0 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.51 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 t -76.85 148.38 36.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.873 0.368 . . . . 0.0 110.81 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 t -75.77 -52.67 9.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.75 -47.68 0.36 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.578 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.4 pp -108.6 -178.58 3.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.952 0.406 . . . . 0.0 110.861 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 11' ' ' GLY . 5.8 t -106.55 147.36 29.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.174 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.768 HG12 HD12 ' A' ' 14' ' ' LEU . 69.5 t -36.75 -28.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -72.42 -53.62 8.56 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.502 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.465 ' H ' HG23 ' A' ' 9' ' ' THR . 3.2 m-20 -46.5 -62.91 1.16 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.845 0.355 . . . . 0.0 110.853 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.576 ' CZ3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -52.84 -63.4 1.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.768 HD12 HG12 ' A' ' 10' ' ' VAL . 58.7 mt -46.67 -35.61 6.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -60.64 -37.82 82.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.835 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 t -56.35 -40.71 74.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.484 HD12 ' CG ' ' A' ' 19' ' ' MET . 16.6 pt -92.57 15.17 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.155 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 57.56 31.07 19.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.484 ' CG ' HD12 ' A' ' 17' ' ' ILE . 34.6 mmm -115.43 3.11 14.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.14 -19.67 2.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -58.95 -25.83 63.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.844 0.355 . . . . 0.0 110.914 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.595 ' CD1' HG13 ' A' ' 50' ' ' ILE . 31.4 m-85 -92.69 -9.07 42.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.0 ptt-85 -46.45 -41.46 13.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -59.33 -30.89 68.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.591 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 9.6 m-70 -66.67 -55.75 13.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.721 ' HA ' HD13 ' A' ' 48' ' ' LEU . 21.4 m-85 -45.23 -45.12 11.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.26 -31.66 61.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.04 -39.55 63.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.079 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.12 -0.58 61.31 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.26 15.43 44.44 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.462 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.563 ' CD1' ' SD ' ' A' ' 40' ' ' MET . 88.9 m-85 -116.46 107.58 14.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.827 0.346 . . . . 0.0 110.935 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.443 ' C ' HG23 ' A' ' 10' ' ' VAL . 37.1 t -119.84 -12.1 9.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.451 ' O ' HG23 ' A' ' 37' ' ' VAL . 16.5 m -118.29 164.54 15.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.496 ' CG ' HD11 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -76.91 -42.26 40.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -47.32 -44.63 21.09 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.506 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.4 ' SD ' ' HA ' ' A' ' 31' ' ' TYR . 17.5 ptp -78.96 -24.31 43.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.828 0.347 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.576 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 7.5 t -76.01 -29.15 19.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.426 HD11 ' HB3' ' A' ' 66' ' ' MET . 1.9 mp -67.83 -23.14 65.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -97.23 13.01 30.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.563 ' SD ' ' CD1' ' A' ' 31' ' ' TYR . 27.4 mtp -95.25 -178.98 4.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.487 ' O ' ' N ' ' A' ' 44' ' ' ASP . 0.7 OUTLIER -168.73 164.18 12.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.894 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.52 ' HB2' ' CD2' ' A' ' 60' ' ' LEU . . . -33.25 -41.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.054 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 16.0 tp60 -56.89 -47.98 79.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 41' ' ' ASN . 41.3 m-20 -78.96 -42.99 25.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.506 HG11 HD11 ' A' ' 60' ' ' LEU . 88.4 t -55.33 -52.68 43.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.654 ' HG2' HG22 ' A' ' 51' ' ' THR . 3.3 tmm_? -44.19 -45.76 8.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.72 -34.56 53.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.721 HD13 ' HA ' ' A' ' 26' ' ' PHE . 14.3 mt -64.84 -29.7 70.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 126.35 -28.86 4.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.473 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.818 HG21 HD12 ' A' ' 59' ' ' ILE . 2.8 mp -66.18 100.0 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.884 0.373 . . . . 0.0 111.16 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.654 HG22 ' HG2' ' A' ' 46' ' ' ARG . 70.9 p -120.04 -25.65 5.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.143 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 55' ' ' HIS . 3.1 mm? -45.57 102.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.476 ' C ' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -32.02 -41.32 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . -64.89 -46.25 90.01 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.449 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.5 ' N ' ' O ' ' A' ' 52' ' ' LEU . 11.3 m170 -74.4 -57.52 3.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.762 0.315 . . . . 0.0 110.885 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.508 ' NE2' ' HA ' ' A' ' 51' ' ' THR . 18.9 mt-30 -41.33 -44.15 2.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.959 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.4 mttm -56.92 -45.45 82.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.4 ' HD2' ' O ' ' A' ' 54' ' ' GLY . 0.1 OUTLIER -59.37 -62.93 1.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.86 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.818 HD12 HG21 ' A' ' 50' ' ' ILE . 67.3 mt -53.71 -66.92 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.128 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.52 ' CD2' ' HB2' ' A' ' 42' ' ' ALA . 8.1 mp -47.78 -54.29 12.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.1 -33.47 79.72 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.519 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.605 ' O ' HG22 ' A' ' 65' ' ' THR . 11.0 t -71.5 -32.72 68.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 110.886 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 95.0 mt -73.69 -50.8 27.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.174 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.44 ' HG2' ' N ' ' A' ' 65' ' ' THR . 3.5 pt20 -45.37 -36.7 4.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.605 HG22 ' O ' ' A' ' 62' ' ' SER . 14.8 t -81.98 -26.79 33.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.574 ' HE1' ' CD2' ' A' ' 13' ' ' TRP . 34.7 mtm -75.68 -31.25 59.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -88.09 -34.03 18.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.881 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.2 -44.02 52.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.431 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 17.4 pt20 -49.08 -43.9 41.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.431 ' N ' ' HG3' ' A' ' 69' ' ' GLN . 14.8 mt -58.51 -53.77 54.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 72.0 p -58.48 -44.52 89.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.14 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.7 t -78.01 105.16 9.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.3 m -71.29 144.31 50.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.134 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.37 168.71 11.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -155.66 135.92 4.82 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.501 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 59.6 p -142.32 169.89 16.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.915 0.388 . . . . 0.0 110.815 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -99.7 -174.26 30.83 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.504 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.08 98.77 0.04 OUTLIER 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.73 2.287 . . . . 0.0 112.292 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.6 m -63.77 157.78 23.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 26.5 p -76.75 125.13 28.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.841 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.494 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t -55.69 158.13 3.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.846 0.355 . . . . 0.0 110.872 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.7 p -162.68 147.02 11.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.9 -177.28 16.04 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.498 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.0 p -113.06 123.48 50.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.893 0.378 . . . . 0.0 110.876 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.4 t -150.89 171.96 16.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.3 -77.28 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.507 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.567 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.5 pp -90.96 -178.2 5.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.882 0.373 . . . . 0.0 110.893 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.504 ' O ' ' N ' ' A' ' 11' ' ' GLY . 9.0 t -105.44 146.61 29.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.71 HG12 HD12 ' A' ' 14' ' ' LEU . 27.6 t -37.95 -26.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -75.47 -49.95 8.71 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.508 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.487 ' H ' HG23 ' A' ' 9' ' ' THR . 0.8 OUTLIER -50.43 -57.48 7.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.749 0.309 . . . . 0.0 110.857 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.707 ' CZ3' HG11 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -58.33 -60.54 3.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.937 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.71 HD12 HG12 ' A' ' 10' ' ' VAL . 30.7 mt -47.04 -40.52 14.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -52.93 -40.24 63.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.6 t -51.48 -44.03 62.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.531 HD12 ' HB3' ' A' ' 58' ' ' LYS . 30.9 pt -96.0 14.53 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.07 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.8 mmt85 57.83 39.7 26.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.436 ' CG ' HG13 ' A' ' 17' ' ' ILE . 31.2 mmt -118.51 -0.82 11.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.469 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -50.52 -17.88 2.2 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.482 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.545 ' NH1' ' CE1' ' A' ' 22' ' ' TYR . 8.4 ptm180 -61.4 -25.56 67.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.838 0.351 . . . . 0.0 110.918 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.786 ' CE2' HG23 ' A' ' 50' ' ' ILE . 16.4 m-85 -90.54 -13.07 35.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.944 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.455 ' C ' ' O ' ' A' ' 22' ' ' TYR . 17.9 ttt180 -33.7 -65.64 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 23' ' ' ARG . 0.5 OUTLIER -36.35 -41.78 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.574 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 16.9 m-70 -56.71 -58.85 6.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.819 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.662 ' CG ' HD13 ' A' ' 48' ' ' LEU . 37.2 m-85 -43.83 -50.06 8.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.93 -31.34 39.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.9 -38.29 37.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.464 ' HA3' ' CD2' ' A' ' 48' ' ' LEU . . . -74.15 2.87 41.73 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.539 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.83 18.69 33.83 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.504 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.707 ' CE2' ' CG ' ' A' ' 40' ' ' MET . 62.0 m-85 -121.22 100.17 6.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.892 0.377 . . . . 0.0 110.942 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.9 t -111.32 11.34 21.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.825 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.611 ' O ' HG23 ' A' ' 37' ' ' VAL . 11.1 m -155.01 173.14 17.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.598 ' O ' HD23 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -79.63 -37.94 34.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -39.53 -35.57 0.56 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.66 -36.16 12.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.707 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 77.7 t -58.7 -37.81 67.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.598 HD23 ' O ' ' A' ' 34' ' ' LEU . 4.3 mm? -59.38 -22.33 61.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.7 ptp85 -108.55 19.95 19.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.707 ' CG ' ' CE2' ' A' ' 31' ' ' TYR . 23.2 mtp -95.28 160.7 14.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.479 ' O ' ' N ' ' A' ' 44' ' ' ASP . 22.1 m-80 -151.17 171.64 17.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.864 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.716 ' HA ' HD11 ' A' ' 60' ' ' LEU . . . -35.25 -49.95 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.056 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -53.55 -42.93 68.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 41' ' ' ASN . 20.5 m-20 -77.15 -54.39 6.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.555 HG21 ' CD2' ' A' ' 60' ' ' LEU . 94.2 t -50.07 -53.69 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.168 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -47.6 -46.01 27.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.67 -36.15 61.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.155 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.662 HD13 ' CG ' ' A' ' 26' ' ' PHE . 20.4 mt -64.34 -27.74 69.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.411 ' O ' HG23 ' A' ' 51' ' ' THR . . . 129.03 -31.41 3.49 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.478 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.786 HG23 ' CE2' ' A' ' 22' ' ' TYR . 2.2 mp -64.46 104.08 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.912 0.387 . . . . 0.0 111.152 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.465 ' HA ' ' CD ' ' A' ' 56' ' ' GLN . 43.2 p -119.89 -29.7 4.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 53' ' ' MET . 4.9 mp -49.91 108.11 0.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.403 ' C ' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -37.81 -56.23 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -42.82 -38.51 3.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.53 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 58' ' ' LYS . 11.6 m170 -92.35 -59.31 2.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.748 0.309 . . . . 0.0 110.855 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.465 ' CD ' ' HA ' ' A' ' 51' ' ' THR . 10.5 mt-30 -36.42 -41.24 0.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.2 mmtm -62.06 -44.06 97.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.531 ' HB3' HD12 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -58.08 -67.04 0.38 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.885 179.88 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.662 HD12 HG21 ' A' ' 50' ' ' ILE . 89.5 mt -49.06 -65.68 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.174 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.716 HD11 ' HA ' ' A' ' 42' ' ' ALA . 58.3 mt -51.24 -59.0 4.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -56.29 -26.36 50.42 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.476 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.6 t -79.0 -26.95 43.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.911 0.386 . . . . 0.0 110.927 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.4 ' O ' ' HG2' ' A' ' 67' ' ' ARG . 89.3 mt -81.46 -55.39 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.164 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -43.04 -36.23 1.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.3 t -84.05 -30.12 26.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.118 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.482 ' HB3' HD11 ' A' ' 38' ' ' LEU . 5.6 mtm -68.26 -32.59 72.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.876 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.417 ' CA ' HD12 ' A' ' 38' ' ' LEU . 2.6 ptm180 -88.74 -33.21 17.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -45.06 -42.68 8.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.059 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.462 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 7.7 pt20 -66.24 -38.99 89.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.951 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.462 ' N ' ' HG3' ' A' ' 69' ' ' GLN . 21.4 mt -58.46 -12.45 3.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 40.6 p -144.38 100.04 3.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.126 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.692 ' O ' HG22 ' A' ' 73' ' ' THR . 1.1 t 69.97 -169.99 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.692 HG22 ' O ' ' A' ' 72' ' ' SER . 9.0 t 47.51 18.92 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.4 ' N ' ' C ' ' A' ' 72' ' ' SER . 8.4 pt20 -55.9 167.42 0.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 168.61 -42.03 0.22 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.458 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.0 m -67.89 -59.36 3.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.914 0.387 . . . . 0.0 110.867 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 83.74 81.49 1.0 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.462 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.11 177.85 0.05 OUTLIER 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.739 2.293 . . . . 0.0 112.33 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 69.8 m -144.87 114.25 7.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 40.7 t -107.73 134.92 50.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 -179.975 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 t -158.76 152.03 22.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 0.0 110.838 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -147.53 134.02 19.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.82 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.65 -120.01 3.29 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.501 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.7 t -86.98 159.17 19.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 0.0 110.852 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.8 m -80.85 -46.44 15.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.99 -36.14 0.56 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.54 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.5 pp -109.12 -179.37 3.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.914 0.387 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 11' ' ' GLY . 8.8 t -107.04 150.6 26.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.142 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.73 HG12 HD12 ' A' ' 14' ' ' LEU . 55.1 t -40.73 -24.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -77.97 -50.37 6.43 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.471 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.462 ' H ' HG23 ' A' ' 9' ' ' THR . 5.7 m-20 -49.92 -57.05 8.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.815 0.34 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.623 ' CZ3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -58.56 -64.02 1.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.73 HD12 HG12 ' A' ' 10' ' ' VAL . 51.5 mt -44.68 -42.57 7.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.938 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -52.3 -38.32 58.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.892 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.7 t -53.12 -44.84 68.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.57 HD12 ' HB3' ' A' ' 58' ' ' LYS . 11.7 pt -93.87 6.96 6.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.453 ' C ' ' SD ' ' A' ' 19' ' ' MET . 16.0 mtp-105 67.42 32.45 5.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.453 ' SD ' ' C ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -110.25 -2.32 16.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.48 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -50.12 -23.75 6.03 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -57.01 -23.0 43.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.817 0.341 . . . . 0.0 110.851 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.505 ' CD1' HG13 ' A' ' 50' ' ' ILE . 35.0 m-85 -95.22 -11.54 27.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 22' ' ' TYR . 14.0 ttt180 -36.35 -61.64 0.5 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -38.62 -39.94 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.532 ' HD2' ' O ' ' A' ' 48' ' ' LEU . 15.8 m80 -59.12 -59.92 4.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.576 ' CG ' ' CD1' ' A' ' 48' ' ' LEU . 25.7 m-85 -43.56 -47.72 7.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.72 -33.85 56.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.076 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.99 -39.11 56.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.083 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.04 4.7 22.57 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.488 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.04 19.55 36.07 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.47 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.7 ' CE2' ' CG ' ' A' ' 40' ' ' MET . 86.8 m-85 -121.7 106.2 11.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.856 0.36 . . . . 0.0 110.915 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 97.1 p -114.87 -14.0 11.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.41 ' O ' HG23 ' A' ' 37' ' ' VAL . 3.0 m -127.39 171.34 11.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.491 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.4 OUTLIER -77.91 -37.31 48.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.949 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -41.82 -46.15 4.87 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.463 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.17 -40.37 27.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 0.0 110.884 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.623 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 30.6 t -54.23 -44.35 64.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.168 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.454 ' CD2' ' HB3' ' A' ' 66' ' ' MET . 33.5 mt -58.54 -15.65 12.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.7 mtt180 -107.75 19.73 19.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.7 ' CG ' ' CE2' ' A' ' 31' ' ' TYR . 28.1 mtp -100.56 174.11 6.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.469 ' O ' ' N ' ' A' ' 44' ' ' ASP . 69.1 m-80 -161.95 168.38 22.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.459 ' C ' ' O ' ' A' ' 41' ' ' ASN . . . -32.9 -44.59 0.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -56.66 -49.36 75.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 41' ' ' ASN . 64.7 m-20 -73.54 -48.81 30.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.585 HG11 ' CD1' ' A' ' 60' ' ' LEU . 96.7 t -52.41 -56.06 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -46.55 -45.33 18.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.18 -38.06 56.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.133 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.576 ' CD1' ' CG ' ' A' ' 26' ' ' PHE . 26.5 mt -63.47 -24.76 67.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.499 ' O ' HG23 ' A' ' 51' ' ' THR . . . 121.61 -30.43 5.35 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.516 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.905 HG21 HD12 ' A' ' 59' ' ' ILE . 3.3 mp -63.46 100.06 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.91 0.386 . . . . 0.0 111.12 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.499 HG23 ' O ' ' A' ' 49' ' ' GLY . 29.0 p -119.97 -20.71 7.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.464 ' H ' HD22 ' A' ' 52' ' ' LEU . 3.7 mm? -50.01 113.57 0.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -43.29 -43.48 4.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.41 ' O ' ' HD2' ' A' ' 58' ' ' LYS . . . -62.93 -30.53 77.61 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.517 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 56' ' ' GLN . 14.8 m170 -91.83 -63.71 1.21 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.738 0.304 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.49 ' NE2' ' HA ' ' A' ' 51' ' ' THR . 17.1 mt-30 -36.27 -47.17 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -53.72 -48.17 69.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.57 ' HB3' HD12 ' A' ' 17' ' ' ILE . 0.3 OUTLIER -58.19 -64.91 0.75 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.89 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.905 HD12 HG21 ' A' ' 50' ' ' ILE . 80.1 mt -50.54 -61.99 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.165 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.585 ' CD1' HG11 ' A' ' 45' ' ' VAL . 10.7 mp -52.42 -58.49 6.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.27 -29.11 59.71 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.2 t -76.04 -28.3 57.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.359 . . . . 0.0 110.871 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 66' ' ' MET . 91.3 mt -83.41 -54.66 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.147 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.466 ' HA ' ' NE ' ' A' ' 67' ' ' ARG . 4.8 pt20 -40.75 -39.38 1.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.8 t -81.14 -31.57 34.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.454 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 11.0 mtm -71.57 -29.93 65.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.466 ' NE ' ' HA ' ' A' ' 64' ' ' GLN . 23.4 ptt85 -91.8 -36.32 13.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.81 -40.77 56.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.45 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 8.3 pt20 -58.53 -37.92 76.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.45 ' N ' ' HG3' ' A' ' 69' ' ' GLN . 71.2 mt -46.48 -59.73 2.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 69.1 p -52.87 -45.63 67.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.106 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 68.8 m -53.42 153.41 4.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.815 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.5 t -80.82 -40.02 25.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.123 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -76.03 139.06 41.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 115.18 -87.55 0.44 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.514 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 97.3 p 50.27 41.43 24.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.9 0.381 . . . . 0.0 110.844 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 50.98 -177.57 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.507 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.14 159.04 4.42 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.719 2.28 . . . . 0.0 112.32 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.4 t -57.96 -53.04 62.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.832 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 68.6 p -93.1 122.41 35.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.88 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.485 -179.992 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.7 m -121.47 156.42 32.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.903 0.382 . . . . 0.0 110.852 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.9 m -126.41 108.93 11.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.76 -135.14 3.3 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.464 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.0 p -87.66 129.52 35.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.88 0.371 . . . . 0.0 110.873 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.0 m -54.9 -56.88 14.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.879 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.16 64.14 3.55 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.488 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.575 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.4 pp -114.73 -177.72 3.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.915 0.388 . . . . 0.0 110.914 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 11' ' ' GLY . 9.6 t -107.95 147.28 31.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.66 HG12 HD12 ' A' ' 14' ' ' LEU . 42.5 t -38.09 -27.77 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.098 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -74.59 -47.27 16.13 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.434 ' H ' HG23 ' A' ' 9' ' ' THR . 3.2 m-20 -52.58 -63.51 1.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.766 0.317 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.578 ' CZ3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -51.91 -61.83 2.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.66 HD12 HG12 ' A' ' 10' ' ' VAL . 48.3 mt -46.56 -48.51 19.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.939 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -50.07 -41.51 48.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.8 t -52.16 -48.85 64.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.602 HD12 ' HB3' ' A' ' 58' ' ' LYS . 37.9 pt -87.16 17.06 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.162 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 70.2 mtt180 59.74 35.63 22.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.846 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 32.1 mmt -119.62 -1.39 10.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -51.03 -21.09 5.02 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -61.8 -27.5 68.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.8 0.333 . . . . 0.0 110.886 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.586 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 30.6 m-85 -86.69 -10.28 54.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.961 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.488 ' CD ' HG12 ' A' ' 10' ' ' VAL . 8.1 tpt180 -39.04 -59.81 0.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.863 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -40.02 -36.55 0.49 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.586 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 13.5 m-70 -62.64 -59.32 5.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.625 ' CG ' ' CD1' ' A' ' 48' ' ' LEU . 26.4 m-85 -46.69 -46.76 20.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.51 -34.51 67.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.116 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.82 -33.69 66.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.087 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.88 -0.96 83.5 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.493 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.26 14.47 41.69 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.426 ' CD1' ' SD ' ' A' ' 40' ' ' MET . 93.0 m-85 -114.73 110.14 19.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.863 0.363 . . . . 0.0 110.948 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.0 t -119.36 -14.23 9.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.836 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.431 ' O ' HG23 ' A' ' 37' ' ' VAL . 9.5 m -119.08 167.17 12.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.501 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -78.54 -42.97 27.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.946 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -46.26 -45.62 15.88 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.518 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.411 ' SD ' ' HA ' ' A' ' 31' ' ' TYR . 20.0 ptp -77.26 -23.84 51.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.358 . . . . 0.0 110.87 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.578 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 5.9 t -75.92 -31.23 21.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.085 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.8 mp -66.38 -27.9 68.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.0 ptt180 -91.63 17.14 9.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.462 ' HE3' ' CB ' ' A' ' 44' ' ' ASP . 36.6 mtp -93.56 172.55 8.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' ' 44' ' ' ASP . 37.7 m-80 -154.32 166.28 33.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.509 ' HA ' HD11 ' A' ' 60' ' ' LEU . . . -37.16 -38.97 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.066 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -61.49 -46.14 91.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.462 ' CB ' ' HE3' ' A' ' 40' ' ' MET . 2.4 m-20 -72.41 -57.85 3.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.409 ' CG2' ' HE2' ' A' ' 40' ' ' MET . 42.4 t -51.0 -52.37 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.884 ' HD2' HG22 ' A' ' 51' ' ' THR . 14.1 tpt180 -48.56 -40.88 28.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.848 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.99 -33.7 72.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.625 ' CD1' ' CG ' ' A' ' 26' ' ' PHE . 39.3 mt -62.21 -22.43 65.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.589 ' O ' HG23 ' A' ' 51' ' ' THR . . . 122.61 -31.0 4.96 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.531 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.759 ' H ' HD12 ' A' ' 50' ' ' ILE . 2.5 mp -67.13 101.07 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.917 0.389 . . . . 0.0 111.135 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.884 HG22 ' HD2' ' A' ' 46' ' ' ARG . 1.6 p -118.15 -28.51 5.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.169 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.7 mp -50.5 113.64 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 27.6 mmt -42.95 -49.91 5.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.404 ' O ' ' HD2' ' A' ' 58' ' ' LYS . . . -48.89 -32.8 11.99 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.54 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.489 ' O ' ' N ' ' A' ' 58' ' ' LYS . 14.5 m170 -97.53 -61.17 1.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.787 0.327 . . . . 0.0 110.872 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.449 ' CD ' ' HA ' ' A' ' 51' ' ' THR . 11.9 mt-30 -36.25 -34.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 55' ' ' HIS . 72.5 mttt -67.34 -45.65 75.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.602 ' HB3' HD12 ' A' ' 17' ' ' ILE . 0.5 OUTLIER -58.29 -64.78 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.916 179.845 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.659 HD12 HG21 ' A' ' 50' ' ' ILE . 84.2 mt -47.75 -69.14 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.509 HD11 ' HA ' ' A' ' 42' ' ' ALA . 11.5 mt -54.44 -58.99 5.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -49.68 -31.8 16.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.645 ' O ' HG22 ' A' ' 65' ' ' THR . 10.4 t -79.73 -29.99 40.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 0.0 110.863 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' A' ' 66' ' ' MET . 96.2 mt -73.92 -54.47 14.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -41.13 -33.49 0.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.645 HG22 ' O ' ' A' ' 62' ' ' SER . 15.4 t -86.71 -29.3 22.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.493 ' N ' ' O ' ' A' ' 63' ' ' ILE . 26.3 mtm -65.89 -33.83 76.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.478 ' CZ ' ' HB2' ' A' ' 67' ' ' ARG . 0.4 OUTLIER -87.19 -38.68 16.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.852 -179.923 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -40.81 -40.09 1.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.462 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 18.1 pt20 -51.65 -44.11 62.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 72' ' ' SER . 12.0 mt -47.58 -34.53 7.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.429 HG22 ' O ' ' A' ' 69' ' ' GLN . 10.0 t 37.13 28.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 70' ' ' LEU . 36.9 m -88.94 162.47 16.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.829 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 30.6 m -61.16 126.68 28.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.12 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -110.32 177.15 4.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -102.28 -76.18 1.15 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.531 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.4 t -58.75 153.35 16.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.973 0.416 . . . . 0.0 110.817 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -89.78 151.08 21.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.515 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 79' ' ' SER . 53.5 Cg_exo -52.05 -25.24 21.94 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.766 2.311 . . . . 0.0 112.314 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 78' ' ' PRO . 7.5 t -35.47 -63.31 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 87.8 p -94.93 110.41 22.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.523 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.3 p -98.99 -31.03 12.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.864 0.364 . . . . 0.0 110.833 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.7 m -97.35 -58.76 1.93 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.65 65.92 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.516 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.6 p -82.49 130.47 35.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.873 0.368 . . . . 0.0 110.885 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.2 p -115.19 164.41 14.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.853 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.55 61.26 0.39 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.463 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.55 HD13 ' H ' ' A' ' 13' ' ' TRP . 4.7 pp -109.52 -178.01 3.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.975 0.417 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.567 HG23 ' H ' ' A' ' 12' ' ' ASP . 15.1 t -103.97 148.09 26.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.724 HG22 HG21 ' A' ' 37' ' ' VAL . 24.5 t -41.17 -32.65 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.45 -49.95 35.05 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.535 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.567 ' H ' HG23 ' A' ' 9' ' ' THR . 3.1 m-20 -50.22 -62.82 1.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.706 ' CZ3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -51.33 -62.43 1.62 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.627 HD12 HG12 ' A' ' 10' ' ' VAL . 47.6 mt -46.41 -45.59 18.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.874 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -47.56 -43.76 25.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.833 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.9 t -50.92 -44.36 60.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.604 HD13 ' CB ' ' A' ' 62' ' ' SER . 29.5 pt -93.95 16.39 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 70.1 mtm180 58.77 34.02 23.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.449 ' CG ' HG13 ' A' ' 17' ' ' ILE . 30.6 mmt -114.01 -1.99 13.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.474 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -48.95 -24.96 4.8 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.434 ' HB3' ' NH1' ' A' ' 21' ' ' ARG . 2.9 ptp180 -58.07 -31.27 66.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.779 0.324 . . . . 0.0 110.853 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.558 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 37.0 m-85 -87.09 -9.98 54.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -45.92 -42.72 13.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.842 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -55.15 -32.34 62.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.558 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 10.5 m-70 -66.65 -56.12 12.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.827 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.568 ' CD1' HD13 ' A' ' 48' ' ' LEU . 27.8 m-85 -45.01 -44.83 10.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.865 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.76 -32.17 63.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.068 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.83 -35.4 60.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.122 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.36 3.45 62.68 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.507 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.33 22.27 27.45 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.501 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.623 ' CE2' ' CG ' ' A' ' 40' ' ' MET . 95.8 m-85 -121.09 103.78 9.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.871 0.367 . . . . 0.0 110.865 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.8 t -109.74 -12.86 14.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.484 ' O ' HG23 ' A' ' 37' ' ' VAL . 5.8 m -131.47 172.94 11.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.553 ' O ' HD23 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -77.6 -36.54 51.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -40.93 -40.1 2.17 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.463 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.495 ' HB2' ' CD2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -87.64 -29.91 20.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.78 0.324 . . . . 0.0 110.886 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.724 HG21 HG22 ' A' ' 10' ' ' VAL . 53.8 t -66.17 -36.57 77.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.887 HD12 ' HB3' ' A' ' 67' ' ' ARG . 4.5 mm? -64.19 -24.01 67.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -102.11 20.04 17.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.623 ' CG ' ' CE2' ' A' ' 31' ' ' TYR . 63.8 mtp -98.93 174.02 6.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.88 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 42' ' ' ALA . 70.4 m-80 -157.99 167.28 30.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 41' ' ' ASN . . . -37.46 -37.39 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.093 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -59.9 -49.59 77.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -72.86 -49.41 30.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.561 HG21 ' CD2' ' A' ' 60' ' ' LEU . 57.9 t -55.46 -54.12 28.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.932 ' HD2' HG22 ' A' ' 51' ' ' THR . 14.0 tpt180 -48.35 -39.05 20.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.46 -35.08 78.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.568 HD13 ' CD1' ' A' ' 26' ' ' PHE . 69.6 mt -60.43 -25.33 65.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.482 ' O ' HG23 ' A' ' 51' ' ' THR . . . 125.8 -29.32 4.71 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.753 ' H ' HD12 ' A' ' 50' ' ' ILE . 2.4 mp -65.75 101.1 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.901 0.381 . . . . 0.0 111.128 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.932 HG22 ' HD2' ' A' ' 46' ' ' ARG . 23.3 p -115.93 -26.97 7.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.167 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.5 mt -50.1 110.73 0.42 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 10.9 mmt -41.15 -48.67 3.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.498 ' O ' ' CD ' ' A' ' 58' ' ' LYS . . . -49.81 -38.57 30.38 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.509 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.498 ' O ' ' N ' ' A' ' 57' ' ' LYS . 10.6 m170 -91.24 -59.64 2.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.763 0.316 . . . . 0.0 110.868 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.505 ' CG ' ' O ' ' A' ' 50' ' ' ILE . 4.7 mt-30 -37.82 -27.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 55' ' ' HIS . 27.5 mttp -77.02 -45.25 27.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.498 ' CD ' ' O ' ' A' ' 54' ' ' GLY . 0.5 OUTLIER -60.15 -61.78 2.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.896 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.734 HD12 HG21 ' A' ' 50' ' ' ILE . 96.3 mt -47.0 -62.61 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.119 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.561 ' CD2' HG21 ' A' ' 45' ' ' VAL . 4.6 mm? -57.66 -58.18 9.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.939 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.38 -26.97 31.65 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.497 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.604 ' CB ' HD13 ' A' ' 17' ' ' ILE . 22.9 t -80.9 -25.21 37.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.803 0.335 . . . . 0.0 110.853 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 85.2 mt -83.82 -50.59 15.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -47.62 -37.47 12.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.9 t -79.99 -31.48 39.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.17 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.586 ' HB3' HD11 ' A' ' 38' ' ' LEU . 18.3 mtm -67.88 -31.95 72.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.887 ' HB3' HD12 ' A' ' 38' ' ' LEU . 3.2 ptm180 -93.78 -34.91 13.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -49.72 -40.15 39.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.096 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.465 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 11.5 pt20 -59.27 -38.09 79.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.465 ' N ' ' HG3' ' A' ' 69' ' ' GLN . 43.1 mt -41.37 -41.11 1.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.61 ' O ' HG23 ' A' ' 71' ' ' THR . 7.2 t -151.92 100.1 2.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.5 t -143.35 143.8 31.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.1 m -79.33 103.43 9.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.151 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -138.92 157.9 45.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.952 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 160.19 -42.5 0.44 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.527 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.1 m -43.02 -47.36 5.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.903 0.383 . . . . 0.0 110.86 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 161.73 92.67 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.494 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.0 -18.69 7.35 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.788 2.326 . . . . 0.0 112.317 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 34.3 t 62.35 42.21 9.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 89.9 p -106.8 117.86 35.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.868 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.451 179.976 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.6 m 62.67 42.62 8.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.869 0.366 . . . . 0.0 110.814 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.5 p -110.21 102.03 10.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.787 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.96 120.3 1.07 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.508 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -100.28 168.48 9.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.373 . . . . 0.0 110.847 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.4 p -82.38 148.09 28.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.79 75.52 1.03 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.449 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.582 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.4 pp -107.38 -178.9 3.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.968 0.413 . . . . 0.0 110.88 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 11' ' ' GLY . 10.1 t -107.79 148.01 30.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.201 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.796 HG12 HD12 ' A' ' 14' ' ' LEU . 70.6 t -37.33 -27.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.095 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -73.68 -53.87 7.03 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.517 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.447 ' H ' HG23 ' A' ' 9' ' ' THR . 5.0 m-20 -46.53 -62.7 1.25 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.784 0.326 . . . . 0.0 110.869 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.678 ' CZ3' HG11 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -52.85 -63.19 1.23 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.944 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.796 HD12 HG12 ' A' ' 10' ' ' VAL . 53.2 mt -46.27 -34.95 4.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -59.27 -36.05 74.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.0 m -58.22 -41.64 84.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.412 HD11 HD23 ' A' ' 14' ' ' LEU . 19.4 pt -92.36 16.62 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.111 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 55.66 35.01 24.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.812 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 43.5 mmm -119.41 1.61 11.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.12 -18.23 2.03 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.494 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -60.53 -27.33 67.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.845 0.355 . . . . 0.0 110.874 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.582 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 37.6 m-85 -91.41 -9.09 46.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.429 ' CG ' ' N ' ' A' ' 24' ' ' ASP . 21.6 ptt-85 -44.91 -44.94 10.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.821 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.429 ' N ' ' CG ' ' A' ' 23' ' ' ARG . 57.4 m-20 -54.51 -32.74 58.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.582 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 10.8 m-70 -65.5 -51.65 58.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.586 ' CD1' HD13 ' A' ' 48' ' ' LEU . 20.9 m-85 -46.96 -47.2 21.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.9 -28.18 61.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.081 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.99 -35.01 32.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.06 6.36 56.53 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.515 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.06 16.26 51.38 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.504 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.595 ' CD2' ' SD ' ' A' ' 40' ' ' MET . 78.9 m-85 -121.92 100.76 7.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.939 0.4 . . . . 0.0 110.911 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.2 t -114.9 9.68 16.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.898 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.627 ' O ' HG23 ' A' ' 37' ' ' VAL . 8.4 m -146.13 168.2 21.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.805 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.481 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -77.69 -45.21 25.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.951 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -42.88 -30.95 1.07 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.479 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.452 ' H ' ' HG2' ' A' ' 36' ' ' MET . 7.5 ptp -95.02 -20.5 19.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.329 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.678 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 38.0 t -77.07 -36.46 24.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.134 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.557 HD12 ' HB3' ' A' ' 67' ' ' ARG . 3.9 mm? -61.02 -20.5 62.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.5 ptt85 -105.13 16.17 26.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.595 ' SD ' ' CD2' ' A' ' 31' ' ' TYR . 26.3 mtp -94.77 166.36 12.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -154.66 173.55 16.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.526 ' N ' HD21 ' A' ' 60' ' ' LEU . . . -40.46 -45.09 2.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.081 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -51.86 -51.73 54.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -72.34 -52.96 13.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 87.8 t -47.98 -55.52 2.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -42.96 -46.28 5.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.15 -35.7 65.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.124 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.586 HD13 ' CD1' ' A' ' 26' ' ' PHE . 21.3 mt -58.89 -29.07 66.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 122.27 -22.67 7.43 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.76 ' H ' HD12 ' A' ' 50' ' ' ILE . 2.5 mp -72.67 103.21 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.952 0.406 . . . . 0.0 111.115 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.481 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 58.2 p -118.3 -22.14 7.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.137 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 53' ' ' MET . 4.6 mm? -50.06 108.39 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.443 ' C ' ' O ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -34.71 -48.77 0.39 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.477 ' O ' ' CD ' ' A' ' 58' ' ' LYS . . . -57.05 -51.79 55.23 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.516 ' CD2' ' N ' ' A' ' 55' ' ' HIS . 3.2 m170 -70.21 -57.87 4.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.769 0.318 . . . . 0.0 110.85 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.481 ' NE2' ' HA ' ' A' ' 51' ' ' THR . 13.2 mt-30 -42.43 -37.63 1.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.972 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -67.38 -41.96 84.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.477 ' CD ' ' O ' ' A' ' 54' ' ' GLY . 0.0 OUTLIER -59.52 -60.36 3.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.843 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.415 HD12 HG21 ' A' ' 50' ' ' ILE . 68.9 mt -55.46 -62.72 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.526 HD21 ' N ' ' A' ' 42' ' ' ALA . 30.4 mt -54.95 -59.92 4.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.928 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -48.97 -35.7 18.74 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.473 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.476 ' O ' ' CG2' ' A' ' 65' ' ' THR . 9.7 t -70.16 -39.02 75.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.36 . . . . 0.0 110.882 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 88.2 mt -72.03 -57.75 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.569 ' O ' ' HB2' ' A' ' 68' ' ' ALA . 5.0 pt20 -39.9 -31.57 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.476 ' CG2' ' O ' ' A' ' 62' ' ' SER . 7.8 t -90.67 -41.06 11.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 12.4 mtm -57.97 -32.78 68.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.557 ' HB3' HD12 ' A' ' 38' ' ' LEU . 3.0 ptm180 -93.43 -37.02 12.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.866 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.569 ' HB2' ' O ' ' A' ' 64' ' ' GLN . . . -52.96 -25.43 11.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 70' ' ' LEU . 5.5 pt20 -80.18 -30.83 38.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 69' ' ' GLN . 51.7 mt -36.76 -46.58 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 72.0 p -147.32 99.98 3.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.1 m -106.43 162.32 13.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.841 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 67.3 p -86.9 153.19 21.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.142 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 62.79 -170.03 0.18 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -96.55 -77.22 1.35 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 t -93.36 18.71 9.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.924 0.392 . . . . 0.0 110.851 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -59.85 -160.51 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.497 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.11 93.83 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.336 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.8 t -109.93 144.84 37.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.5 m -103.87 126.28 50.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.509 -179.983 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.5 p -102.36 166.98 10.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.891 0.377 . . . . 0.0 110.863 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.7 m 67.6 41.9 2.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.26 -116.4 0.49 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.504 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.7 p -90.58 147.99 22.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.876 0.37 . . . . 0.0 110.857 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.7 p -112.14 159.35 18.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.77 60.26 0.14 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.542 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.5 pp -119.71 -178.13 3.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.939 0.399 . . . . 0.0 110.893 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 11' ' ' GLY . 13.5 t -105.07 148.76 26.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.121 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.752 HG12 HD12 ' A' ' 14' ' ' LEU . 54.2 t -40.98 -23.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -78.18 -47.75 8.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.445 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.444 ' H ' HG23 ' A' ' 9' ' ' THR . 3.4 m-20 -52.72 -57.58 9.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.781 0.324 . . . . 0.0 110.839 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.557 ' CZ3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -57.12 -61.95 2.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.962 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.752 HD12 HG12 ' A' ' 10' ' ' VAL . 51.0 mt -47.1 -47.53 23.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -49.51 -42.83 44.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.0 t -51.6 -42.34 61.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.953 HG21 ' OG ' ' A' ' 62' ' ' SER . 37.3 pt -94.71 13.87 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.126 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 62.41 36.22 14.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.421 ' C ' ' HB3' ' A' ' 14' ' ' LEU . 31.2 mmt -119.84 -3.81 10.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.496 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -49.09 -26.19 5.99 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.48 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -56.15 -30.21 61.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.791 0.329 . . . . 0.0 110.863 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.486 ' CD1' HG13 ' A' ' 50' ' ' ILE . 39.6 m-85 -85.14 -11.75 54.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.1 ttt180 -38.9 -59.47 0.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -40.26 -37.0 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.481 ' HD2' ' O ' ' A' ' 48' ' ' LEU . 13.0 m80 -61.92 -60.06 4.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.575 ' CD2' HD11 ' A' ' 48' ' ' LEU . 30.8 m-85 -45.69 -45.13 14.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.1 -31.59 52.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.116 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.26 -41.36 41.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.078 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.2 0.64 15.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.531 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.12 17.83 36.02 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.472 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.632 ' CE1' ' CG ' ' A' ' 40' ' ' MET . 79.9 m-85 -119.18 111.12 17.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.893 0.378 . . . . 0.0 110.923 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 87.7 p -120.04 -9.86 9.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.44 ' O ' HG23 ' A' ' 37' ' ' VAL . 6.4 p -123.94 171.27 9.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.522 HD11 ' CB ' ' A' ' 13' ' ' TRP . 0.3 OUTLIER -81.63 -41.98 20.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -46.87 -46.04 19.2 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.516 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.405 ' SD ' ' HA ' ' A' ' 31' ' ' TYR . 12.9 ptp -77.5 -22.87 50.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 110.896 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.557 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 4.8 t -76.69 -34.09 22.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.534 ' HA ' HG23 ' A' ' 63' ' ' ILE . 2.2 mp -62.13 -25.63 67.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.4 mmm180 -88.0 -16.41 33.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.632 ' CG ' ' CE1' ' A' ' 31' ' ' TYR . 59.5 mtp -63.44 177.76 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.458 ' CG ' ' O ' ' A' ' 40' ' ' MET . 76.1 m-20 -164.31 167.99 19.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' ' 46' ' ' ARG . . . -38.14 -45.85 0.98 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -54.19 -43.82 71.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 41' ' ' ASN . 74.5 m-20 -78.02 -52.8 8.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.511 HG11 ' CD2' ' A' ' 60' ' ' LEU . 54.2 t -50.25 -52.93 13.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.105 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.462 ' HG2' HG22 ' A' ' 51' ' ' THR . 4.2 tmm_? -44.72 -45.94 10.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.21 -36.57 63.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.096 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.575 HD11 ' CD2' ' A' ' 26' ' ' PHE . 23.1 mt -58.59 -28.04 65.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 123.45 -25.17 6.34 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.78 ' H ' HD12 ' A' ' 50' ' ' ILE . 2.4 mp -70.73 100.82 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.922 0.391 . . . . 0.0 111.13 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.462 HG22 ' HG2' ' A' ' 46' ' ' ARG . 48.4 p -117.28 -26.29 6.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.4 mt -51.26 112.67 0.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -42.08 -47.95 4.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.403 ' O ' ' HD2' ' A' ' 58' ' ' LYS . . . -50.84 -34.87 30.46 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.494 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.421 ' O ' ' N ' ' A' ' 58' ' ' LYS . 24.6 m170 -94.82 -61.29 1.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.77 0.319 . . . . 0.0 110.851 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.499 ' CG ' ' O ' ' A' ' 50' ' ' ILE . 11.6 mt-30 -37.09 -39.36 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.435 ' HB3' ' NZ ' ' A' ' 58' ' ' LYS . 27.3 mttm -62.89 -48.59 78.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.471 ' HB3' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -56.9 -65.27 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.894 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.609 HD12 HG21 ' A' ' 50' ' ' ILE . 84.2 mt -46.95 -68.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.511 ' CD2' HG11 ' A' ' 45' ' ' VAL . 4.6 mm? -52.46 -58.37 6.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.891 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -50.21 -31.1 18.86 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.441 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.953 ' OG ' HG21 ' A' ' 17' ' ' ILE . 49.3 m -77.35 -32.36 55.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.863 0.363 . . . . 0.0 110.886 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.534 HG23 ' HA ' ' A' ' 38' ' ' LEU . 96.2 mt -73.73 -54.5 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.139 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -42.2 -33.2 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.512 HG22 ' O ' ' A' ' 62' ' ' SER . 8.8 t -87.56 -36.66 17.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.48 ' SD ' HD12 ' A' ' 34' ' ' LEU . 24.3 mtm -59.74 -36.74 77.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -82.92 -32.4 27.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -48.19 -39.75 21.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.441 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 14.8 pt20 -49.26 -37.6 24.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.441 ' N ' ' HG3' ' A' ' 69' ' ' GLN . 11.6 mt -55.93 -53.83 52.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 43.0 p -72.03 -34.07 68.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.128 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 37.7 m 63.21 -170.01 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.488 ' O ' HG22 ' A' ' 73' ' ' THR . 9.1 m 50.01 40.36 21.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.12 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -91.14 -60.69 1.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -88.55 -171.45 46.19 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.3 m -50.86 171.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.882 0.372 . . . . 0.0 110.859 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -47.53 105.33 0.11 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.473 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.03 -14.36 2.49 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.728 2.285 . . . . 0.0 112.312 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.2 t -150.89 136.52 17.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.9 t -91.34 143.66 26.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.519 179.979 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 t -82.94 -53.27 5.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.923 0.392 . . . . 0.0 110.903 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -154.5 130.85 10.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.82 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.83 164.93 34.5 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.473 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.5 m -93.15 150.0 20.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 0.0 110.852 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.2 m 60.27 42.19 15.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.0 38.69 0.42 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.527 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.632 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.2 pp -123.45 -179.52 4.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.922 0.391 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.53 ' O ' ' N ' ' A' ' 11' ' ' GLY . 5.0 t -106.53 147.09 29.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.165 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.787 HG12 HD12 ' A' ' 14' ' ' LEU . 76.4 t -35.04 -29.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.125 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.53 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -71.81 -46.8 35.9 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.523 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.47 ' HB3' HD13 ' A' ' 8' ' ' LEU . 1.5 t70 -53.6 -65.29 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.775 0.321 . . . . 0.0 110.869 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.584 ' CE3' ' HG ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -49.58 -58.88 4.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.787 HD12 HG12 ' A' ' 10' ' ' VAL . 51.4 mt -49.79 -45.26 49.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -50.79 -41.74 57.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.823 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.7 t -51.13 -44.79 61.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.471 HD12 ' HB3' ' A' ' 58' ' ' LYS . 41.2 pt -93.47 15.27 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.152 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 59.86 36.65 21.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 31.5 mmt -118.46 -0.91 11.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.433 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -49.72 -23.96 5.46 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.524 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -57.21 -28.79 63.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.34 . . . . 0.0 110.884 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.592 ' CD1' HG13 ' A' ' 50' ' ' ILE . 35.9 m-85 -90.32 -9.32 48.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.478 ' CG ' ' N ' ' A' ' 24' ' ' ASP . 11.2 ptm180 -42.77 -48.73 5.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.478 ' N ' ' CG ' ' A' ' 23' ' ' ARG . 1.2 t70 -51.49 -35.14 38.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.582 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 12.4 m-70 -62.31 -57.77 10.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.614 ' CG ' HD13 ' A' ' 48' ' ' LEU . 25.7 m-85 -45.18 -47.38 12.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.889 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.41 -34.87 69.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.061 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.2 -34.38 72.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.31 6.82 66.41 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.447 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.77 18.01 42.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.447 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.593 ' CE1' ' SD ' ' A' ' 40' ' ' MET . 84.4 m-85 -122.55 107.44 12.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.902 0.382 . . . . 0.0 110.901 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.0 t -119.82 -12.61 9.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.806 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.465 ' O ' HG23 ' A' ' 37' ' ' VAL . 4.2 m -116.56 167.9 10.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.496 HD11 ' CB ' ' A' ' 13' ' ' TRP . 0.3 OUTLIER -79.38 -42.5 25.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.885 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -48.36 -43.49 26.99 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.475 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.1 ptp -79.44 -26.14 41.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.843 0.354 . . . . 0.0 110.905 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.56 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 3.4 t -70.98 -35.4 59.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.534 HD23 HD22 ' A' ' 70' ' ' LEU . 2.5 mp -59.68 -21.06 60.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.831 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.23 -17.56 28.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.593 ' SD ' ' CE1' ' A' ' 31' ' ' TYR . 13.0 mmm -56.34 176.29 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 44' ' ' ASP . 0.8 OUTLIER -170.24 158.97 7.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.462 ' C ' ' O ' ' A' ' 41' ' ' ASN . . . -32.29 -48.65 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.073 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -56.08 -49.43 73.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.848 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 41' ' ' ASN . 54.4 m-20 -73.33 -56.5 4.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.414 ' N ' ' HE3' ' A' ' 40' ' ' MET . 58.4 t -43.32 -53.09 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -44.15 -46.19 8.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.47 -38.17 66.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.062 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.614 HD13 ' CG ' ' A' ' 26' ' ' PHE . 39.8 mt -58.59 -26.22 63.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 123.13 -26.79 6.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.477 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 1.013 HG21 HD12 ' A' ' 59' ' ' ILE . 2.9 mp -70.33 101.22 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.87 0.367 . . . . 0.0 111.094 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.493 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 36.4 p -119.07 -27.28 5.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.4 mt -50.68 116.29 1.87 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.463 ' HA ' ' CE ' ' A' ' 53' ' ' MET . 26.6 mmt -43.9 -48.38 8.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -52.82 -30.55 36.61 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.494 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.471 ' O ' ' N ' ' A' ' 58' ' ' LYS . 23.1 m170 -96.87 -63.24 1.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.721 0.296 . . . . 0.0 110.871 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.645 ' O ' HD13 ' A' ' 60' ' ' LEU . 14.5 mt-30 -36.78 -46.21 0.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.933 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -59.7 -42.9 94.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.471 ' HB3' HD12 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -65.28 -60.61 2.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.916 179.852 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 1.013 HD12 HG21 ' A' ' 50' ' ' ILE . 65.8 mt -51.09 -51.1 22.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.108 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.645 HD13 ' O ' ' A' ' 56' ' ' GLN . 11.0 mp -64.23 -57.36 9.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -54.92 -30.62 54.0 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.461 ' HB2' HG21 ' A' ' 17' ' ' ILE . 23.3 t -73.77 -29.0 61.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.352 . . . . 0.0 110.813 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.431 HG23 ' HA ' ' A' ' 38' ' ' LEU . 58.2 mt -81.13 -48.92 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.122 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.408 ' HG3' ' N ' ' A' ' 65' ' ' THR . 0.0 OUTLIER -45.05 -30.97 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.444 HG22 ' O ' ' A' ' 62' ' ' SER . 14.9 t -89.47 -27.0 20.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.467 ' SD ' ' CD1' ' A' ' 34' ' ' LEU . 28.1 mtm -70.13 -34.62 73.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.534 ' HA ' HD13 ' A' ' 70' ' ' LEU . 3.3 ptt180 -87.53 -27.64 22.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.23 -44.28 61.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.651 ' HG3' HD12 ' A' ' 70' ' ' LEU . 18.9 pt20 -62.99 -43.6 98.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.948 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.651 HD12 ' HG3' ' A' ' 69' ' ' GLN . 8.7 mp -52.47 -53.46 45.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 66.8 p -82.9 18.23 1.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.148 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.6 m 53.73 -170.15 0.05 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.3 t -88.86 8.64 28.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.189 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -48.61 -56.66 7.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -53.16 101.17 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.509 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.9 t -86.01 -50.99 6.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.912 0.386 . . . . 0.0 110.88 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 133.07 158.44 8.79 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.503 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.04 -39.34 70.18 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.769 2.313 . . . . 0.0 112.296 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 49.0 p -105.82 145.45 31.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.819 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 74.8 p -90.21 107.46 19.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.86 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.494 -179.962 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -72.68 -48.66 37.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.885 0.374 . . . . 0.0 110.868 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.2 t -119.4 107.98 14.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.11 85.85 1.54 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.507 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.0 t -95.84 136.64 36.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.927 0.394 . . . . 0.0 110.817 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 7' ' ' GLY . 24.9 p -60.28 147.66 39.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.834 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 37.44 88.18 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.506 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.572 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.5 pp -119.68 -179.73 3.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.899 0.381 . . . . 0.0 110.877 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 11' ' ' GLY . 8.8 t -106.32 147.75 28.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.136 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.664 HG12 HD12 ' A' ' 14' ' ' LEU . 49.9 t -38.22 -27.13 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -74.09 -48.38 15.65 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.503 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.95 -63.92 0.98 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.837 0.351 . . . . 0.0 110.857 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.609 ' CD1' ' SD ' ' A' ' 66' ' ' MET . 0.0 OUTLIER -51.22 -61.72 2.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.664 HD12 HG12 ' A' ' 10' ' ' VAL . 44.2 mt -46.53 -47.42 19.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -51.4 -38.81 55.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.1 t -52.99 -44.98 67.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.598 HD12 ' HB3' ' A' ' 58' ' ' LYS . 28.5 pt -91.98 15.13 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.14 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 63.94 31.12 13.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.435 ' CG ' HG13 ' A' ' 17' ' ' ILE . 33.5 mmt -116.32 0.38 12.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.402 ' HA2' ' CB ' ' A' ' 14' ' ' LEU . . . -52.63 -14.33 2.43 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.462 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -68.06 -27.03 66.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.807 0.337 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.576 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 36.7 m-85 -90.65 -8.18 50.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.482 ' CG ' ' N ' ' A' ' 24' ' ' ASP . 6.3 ptp180 -43.03 -48.55 6.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.482 ' N ' ' CG ' ' A' ' 23' ' ' ARG . 0.9 OUTLIER -51.87 -34.23 39.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.576 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 12.2 m-70 -63.77 -53.84 44.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.619 ' CG ' ' CD1' ' A' ' 48' ' ' LEU . 30.8 m-85 -48.12 -49.57 31.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.59 -26.8 45.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.09 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.9 -33.61 34.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.149 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -83.51 11.52 55.54 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.22 14.93 58.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.519 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.67 ' CE2' ' CG ' ' A' ' 40' ' ' MET . 67.4 m-85 -122.31 100.16 6.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.849 0.357 . . . . 0.0 110.923 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.4 t -112.14 -12.38 13.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.848 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.575 ' O ' HG23 ' A' ' 37' ' ' VAL . 14.6 m -122.27 172.38 8.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.853 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.492 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.4 OUTLIER -79.13 -41.62 28.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.911 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -44.77 -43.9 8.35 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.507 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.9 ptp -81.67 -14.8 56.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.839 0.352 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.598 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 24.8 t -83.71 -35.97 11.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.617 HD12 ' CA ' ' A' ' 67' ' ' ARG . 3.4 mm? -65.84 -17.87 64.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.18 3.87 33.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.67 ' CG ' ' CE2' ' A' ' 31' ' ' TYR . 45.2 mtp -78.37 -178.75 5.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.48 ' O ' ' N ' ' A' ' 44' ' ' ASP . 0.8 OUTLIER -166.75 163.52 16.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.432 ' HA ' HD11 ' A' ' 60' ' ' LEU . . . -35.53 -46.15 0.39 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.057 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.6 tp60 -54.41 -43.98 71.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 41' ' ' ASN . 75.7 m-20 -77.74 -51.25 10.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.3 t -51.83 -54.28 13.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.553 ' HG2' HG22 ' A' ' 51' ' ' THR . 4.9 tmm_? -46.18 -43.75 15.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.68 -32.7 63.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.619 ' CD1' ' CG ' ' A' ' 26' ' ' PHE . 24.5 mt -64.8 -24.51 67.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 121.08 -28.37 6.11 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.51 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.793 HG21 HD12 ' A' ' 59' ' ' ILE . 2.4 mp -67.6 100.14 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.888 0.375 . . . . 0.0 111.099 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.553 HG22 ' HG2' ' A' ' 46' ' ' ARG . 82.5 p -118.91 -23.94 6.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.158 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 55' ' ' HIS . 2.5 mt -49.97 108.18 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 38.4 mmt -40.22 -46.83 2.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.402 ' O ' ' HD2' ' A' ' 58' ' ' LYS . . . -53.92 -36.6 56.07 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.529 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.487 ' O ' ' N ' ' A' ' 58' ' ' LYS . 19.7 m170 -92.28 -59.07 2.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.725 0.298 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.48 ' NE2' ' HA ' ' A' ' 51' ' ' THR . 10.5 mt-30 -35.92 -41.61 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 43.3 mttt -58.86 -44.9 91.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.598 ' HB3' HD12 ' A' ' 17' ' ' ILE . 0.5 OUTLIER -58.84 -64.03 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.955 179.834 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.793 HD12 HG21 ' A' ' 50' ' ' ILE . 67.9 mt -52.04 -65.24 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.143 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.432 HD11 ' HA ' ' A' ' 42' ' ' ALA . 28.1 mt -55.47 -56.52 19.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.408 ' O ' ' HG3' ' A' ' 64' ' ' GLN . . . -47.69 -46.12 24.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.45 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.651 ' O ' HG22 ' A' ' 65' ' ' THR . 3.2 t -63.51 -49.58 72.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.818 0.342 . . . . 0.0 110.847 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.534 ' O ' ' N ' ' A' ' 66' ' ' MET . 96.6 mt -58.12 -60.08 2.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.132 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.468 ' HG3' ' N ' ' A' ' 65' ' ' THR . 0.6 OUTLIER -32.32 -37.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.651 HG22 ' O ' ' A' ' 62' ' ' SER . 9.8 t -98.58 -30.08 12.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.981 ' O ' HD23 ' A' ' 70' ' ' LEU . 2.2 ttp -63.38 -20.38 65.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.617 ' CA ' HD12 ' A' ' 38' ' ' LEU . 1.7 ptm180 -94.24 -37.72 11.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -44.61 -47.25 10.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.687 ' HG3' HD22 ' A' ' 70' ' ' LEU . 8.9 pt20 -72.72 -37.47 67.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.981 HD23 ' O ' ' A' ' 66' ' ' MET . 4.1 mm? -64.87 179.29 0.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 38.6 p 50.28 29.7 3.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.185 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.5 m -98.42 155.14 17.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.44 HG23 ' N ' ' A' ' 74' ' ' GLN . 9.1 t -66.14 -43.11 88.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.161 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.44 ' N ' HG23 ' A' ' 73' ' ' THR . 33.0 tt0 -91.33 142.4 27.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 147.46 66.77 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 11.0 m -84.99 -41.81 15.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.845 0.355 . . . . 0.0 110.849 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 98.5 76.57 1.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.05 120.98 8.01 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.763 2.309 . . . . 0.0 112.311 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 33.2 t 52.42 47.2 25.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.4 t -99.71 124.08 44.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.82 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.485 179.996 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.4 p -94.29 176.12 6.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.86 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.6 t -141.65 129.5 21.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.61 -59.46 0.69 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.533 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.6 m -96.3 134.37 39.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.954 0.407 . . . . 0.0 110.822 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.4 t -115.57 -39.87 3.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.78 50.21 2.95 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.457 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.611 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.4 pp -88.53 -179.28 6.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.941 0.4 . . . . 0.0 110.895 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 11' ' ' GLY . 9.8 t -106.95 146.58 30.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.179 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.845 HG12 HD12 ' A' ' 14' ' ' LEU . 69.2 t -35.91 -30.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.111 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -70.48 -52.19 17.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.424 ' H ' HG23 ' A' ' 9' ' ' THR . 7.4 m-20 -47.91 -65.29 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.815 0.341 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.796 ' CZ3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -51.5 -59.9 3.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.845 HD12 HG12 ' A' ' 10' ' ' VAL . 41.7 mt -49.51 -35.28 19.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -59.75 -39.71 85.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.1 t -55.29 -42.35 73.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.636 HG21 ' HB2' ' A' ' 62' ' ' SER . 19.4 pt -89.58 14.62 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.115 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.5 mmt85 57.65 30.12 18.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.466 ' HE2' ' HB3' ' A' ' 55' ' ' HIS . 26.4 mmm -115.04 4.02 14.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -51.34 -17.79 3.02 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.462 ' HB2' ' CZ ' ' A' ' 21' ' ' ARG . 2.4 ptm85 -62.48 -25.09 67.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.822 0.344 . . . . 0.0 110.863 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.598 ' CD1' HG13 ' A' ' 50' ' ' ILE . 29.1 m-85 -93.63 -10.15 35.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.481 ' CG ' ' N ' ' A' ' 24' ' ' ASP . 19.7 ptt-85 -42.53 -48.62 5.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.838 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.481 ' N ' ' CG ' ' A' ' 23' ' ' ARG . 8.2 p-10 -52.84 -34.5 54.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.595 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 11.6 m-70 -62.16 -56.38 19.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.653 ' CD1' ' CD1' ' A' ' 48' ' ' LEU . 16.0 m-85 -44.9 -47.11 11.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.825 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.13 -32.57 62.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.47 -36.29 60.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.59 7.02 51.11 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.517 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.47 20.34 38.28 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.521 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.576 ' CZ ' ' SD ' ' A' ' 40' ' ' MET . 86.2 m-85 -122.48 100.07 6.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.906 0.384 . . . . 0.0 110.868 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.0 m -115.45 8.47 15.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.74 ' O ' HG23 ' A' ' 37' ' ' VAL . 11.1 m -146.12 168.41 21.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.854 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.559 ' O ' HD23 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -78.18 -45.36 23.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -43.4 -31.41 1.54 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.429 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.413 ' O ' ' CG ' ' A' ' 39' ' ' ARG . 6.9 ptp -95.11 -24.2 16.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.843 0.354 . . . . 0.0 110.852 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.796 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 40.1 t -71.73 -40.34 69.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.154 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.559 HD23 ' O ' ' A' ' 34' ' ' LEU . 2.4 mm? -53.38 -24.82 13.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.413 ' CG ' ' O ' ' A' ' 36' ' ' MET . 3.7 ptp180 -96.23 19.94 11.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.585 ' HE2' ' CE2' ' A' ' 26' ' ' PHE . 21.8 mmm -86.63 169.56 12.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' A' ' 40' ' ' MET . 39.8 m-80 -162.45 162.5 27.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 41' ' ' ASN . . . -36.46 -42.65 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -59.83 -51.46 69.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -69.52 -55.0 11.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.5 t -48.72 -56.0 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.1 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.636 ' CD ' HG22 ' A' ' 51' ' ' THR . 22.5 tpt85 -48.42 -45.2 35.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.85 -36.17 62.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.065 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.653 ' CD1' ' CD1' ' A' ' 26' ' ' PHE . 24.4 mt -61.21 -22.32 64.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.953 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.657 ' O ' HG23 ' A' ' 51' ' ' THR . . . 122.42 -30.64 5.11 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.462 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.742 ' H ' HD12 ' A' ' 50' ' ' ILE . 2.2 mp -63.99 102.25 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.925 0.393 . . . . 0.0 111.114 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.657 HG23 ' O ' ' A' ' 49' ' ' GLY . 1.0 OUTLIER -117.57 -25.96 6.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.561 ' H ' HD22 ' A' ' 52' ' ' LEU . 3.4 mm? -50.04 109.86 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 31.8 mmt -40.12 -51.73 2.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.411 ' O ' ' HD3' ' A' ' 58' ' ' LYS . . . -52.24 -34.34 40.27 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.524 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.517 ' O ' ' N ' ' A' ' 58' ' ' LYS . 5.7 m170 -90.96 -61.81 1.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.76 0.314 . . . . 0.0 110.847 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.503 ' CG ' ' O ' ' A' ' 50' ' ' ILE . 16.4 mt-30 -36.46 -33.68 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 55' ' ' HIS . 7.8 mtpm? -69.26 -43.97 72.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.517 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -56.97 -63.62 1.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.893 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.679 HD12 HG21 ' A' ' 50' ' ' ILE . 61.7 mt -52.83 -62.8 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.101 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 51.9 mt -53.01 -60.49 3.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.45 -30.43 41.33 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.636 ' HB2' HG21 ' A' ' 17' ' ' ILE . 22.6 t -73.54 -30.22 62.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.814 0.34 . . . . 0.0 110.844 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 79.5 mt -81.4 -54.58 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.131 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.555 ' O ' ' HB2' ' A' ' 68' ' ' ALA . 5.2 pt20 -42.11 -42.06 2.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.7 t -78.8 -32.56 46.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 8.2 mtm -68.79 -32.88 72.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.492 ' HB3' HD12 ' A' ' 38' ' ' LEU . 2.8 ptt180 -94.49 -30.52 14.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.876 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.555 ' HB2' ' O ' ' A' ' 64' ' ' GLN . . . -53.11 -41.42 64.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.465 ' HG3' HD22 ' A' ' 70' ' ' LEU . 10.4 pt20 -61.39 -44.27 97.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.479 HD13 ' HA ' ' A' ' 70' ' ' LEU . 3.0 mm? -51.01 -60.05 3.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.5 t -62.4 -40.77 97.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.713 ' O ' HG22 ' A' ' 73' ' ' THR . 1.9 t -50.18 162.69 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.713 HG22 ' O ' ' A' ' 72' ' ' SER . 9.7 t 48.31 18.08 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.166 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -150.73 146.91 26.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.61 159.4 2.22 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.487 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 46.3 t -161.77 105.84 1.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.892 0.377 . . . . 0.0 110.873 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -136.96 -156.04 7.2 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.466 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.05 144.05 38.63 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.673 2.249 . . . . 0.0 112.339 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 86.5 p -78.21 113.31 16.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.0 m -119.25 111.19 17.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.847 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.524 179.977 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.3 p 50.21 41.78 24.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.857 0.36 . . . . 0.0 110.862 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.3 p -48.92 -43.31 39.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.844 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.75 -149.08 31.14 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.458 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 t -96.13 153.63 17.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.913 0.387 . . . . 0.0 110.839 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 t -49.12 -69.94 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.882 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.6 -52.37 0.14 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.49 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.538 HD12 ' HB3' ' A' ' 12' ' ' ASP . 0.4 OUTLIER -86.07 178.64 7.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.957 0.408 . . . . 0.0 110.907 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.645 HG23 ' H ' ' A' ' 12' ' ' ASP . 8.8 t -93.6 150.69 20.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.712 HG12 HD12 ' A' ' 14' ' ' LEU . 70.4 t -43.88 -38.04 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.074 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.477 ' N ' ' HG3' ' A' ' 23' ' ' ARG . . . -65.77 -42.74 95.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.493 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.645 ' H ' HG23 ' A' ' 9' ' ' THR . 2.0 m-20 -58.34 -59.42 5.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.814 0.34 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.607 ' CE3' ' HG ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -54.73 -52.66 61.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.712 HD12 HG12 ' A' ' 10' ' ' VAL . 32.9 mt -55.28 -52.88 62.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -44.71 -43.19 8.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.8 t -51.28 -46.15 62.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.825 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.63 HG21 ' OG ' ' A' ' 62' ' ' SER . 42.0 pt -90.44 14.9 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.078 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 62.9 34.66 14.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.429 ' C ' ' HB3' ' A' ' 14' ' ' LEU . 30.3 mmt -119.96 -0.22 10.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.455 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -52.6 -17.34 4.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.9 ptp180 -66.28 -21.02 66.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.778 0.323 . . . . 0.0 110.871 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.596 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 44.1 m-85 -92.64 -12.64 31.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.477 ' HG3' ' N ' ' A' ' 11' ' ' GLY . 16.3 ttt-85 -34.52 -61.7 0.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -41.45 -40.71 1.85 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.596 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 16.2 m-70 -57.46 -60.96 2.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.599 ' CD2' HD11 ' A' ' 48' ' ' LEU . 29.5 m-85 -44.95 -50.1 10.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.29 -31.5 61.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.077 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.78 -35.9 57.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.099 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.21 5.46 59.45 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.491 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.62 20.07 35.71 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.467 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.643 ' CE2' ' CG ' ' A' ' 40' ' ' MET . 24.8 m-85 -122.02 106.49 11.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.906 0.384 . . . . 0.0 110.912 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 83.5 p -115.91 -11.32 11.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.852 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.44 173.47 10.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.517 ' HG ' ' CD2' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -74.34 -43.05 58.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -42.59 -50.85 5.71 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.518 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -31.06 64.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.836 0.35 . . . . 0.0 110.848 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.422 HG11 ' CH2' ' A' ' 13' ' ' TRP . 12.6 t -72.3 -26.1 24.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.472 HD13 ' O ' ' A' ' 34' ' ' LEU . 4.8 mp -74.81 -24.27 58.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.434 ' HB3' ' NH1' ' A' ' 39' ' ' ARG . 1.8 ptp180 -96.99 18.08 15.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.897 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.643 ' CG ' ' CE2' ' A' ' 31' ' ' TYR . 67.3 mtp -95.74 -179.79 4.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.495 ' O ' ' N ' ' A' ' 43' ' ' GLN . 0.6 OUTLIER -168.22 164.05 13.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.48 ' HA ' HD11 ' A' ' 60' ' ' LEU . . . -32.91 -34.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 41' ' ' ASN . 77.1 mm-40 -64.29 -53.58 46.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 41' ' ' ASN . 47.8 m-20 -69.31 -58.61 3.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.4 t -45.04 -53.12 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -47.21 -38.69 12.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.9 -35.76 81.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.599 HD11 ' CD2' ' A' ' 26' ' ' PHE . 37.6 mt -58.71 -24.58 61.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 121.36 -24.05 7.41 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.76 ' H ' HD12 ' A' ' 50' ' ' ILE . 2.0 mp -74.11 100.37 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.922 0.391 . . . . 0.0 111.157 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.45 ' HA ' ' CD ' ' A' ' 56' ' ' GLN . 1.1 p -116.23 -24.39 8.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 mp -50.65 109.9 0.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.437 ' O ' ' CG ' ' A' ' 57' ' ' LYS . 10.4 mmm -41.94 -45.04 3.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.11 -35.65 54.95 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.501 ' O ' ' N ' ' A' ' 58' ' ' LYS . 25.5 m170 -94.26 -59.54 1.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.777 0.323 . . . . 0.0 110.861 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.497 ' CG ' ' O ' ' A' ' 50' ' ' ILE . 11.1 mt-30 -36.33 -34.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 53' ' ' MET . 10.3 mmmt -67.84 -44.95 76.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.2 OUTLIER -58.91 -61.17 2.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 179.801 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.624 HD12 HG21 ' A' ' 50' ' ' ILE . 67.3 mt -51.3 -63.29 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.48 HD11 ' HA ' ' A' ' 42' ' ' ALA . 15.6 mt -55.12 -59.27 5.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -47.83 -40.35 18.81 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.446 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.63 ' OG ' HG21 ' A' ' 17' ' ' ILE . 19.9 m -71.71 -33.02 68.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.853 0.359 . . . . 0.0 110.838 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.48 ' O ' ' N ' ' A' ' 66' ' ' MET . 81.7 mt -72.62 -54.3 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.149 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.457 ' HG3' ' N ' ' A' ' 65' ' ' THR . 1.7 pp0? -42.24 -34.52 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.915 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.628 HG22 ' O ' ' A' ' 62' ' ' SER . 13.9 t -87.2 -25.66 23.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.113 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.601 ' SD ' ' CD1' ' A' ' 13' ' ' TRP . 12.4 mtp -77.22 -31.83 55.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.422 ' CA ' ' HG ' ' A' ' 38' ' ' LEU . 5.1 ptm180 -85.62 -31.0 22.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.97 -36.72 65.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.076 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -50.89 -34.73 29.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 30.1 mt -60.93 -69.48 0.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.466 HG23 ' N ' ' A' ' 72' ' ' SER . 7.0 t -57.07 -45.61 83.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.466 ' N ' HG23 ' A' ' 71' ' ' THR . 22.9 t -50.66 153.03 1.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.828 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 56.1 m -57.77 -56.09 26.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.161 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -92.97 138.72 31.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 122.0 39.71 0.55 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.469 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 t -99.39 -58.77 1.86 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.932 0.396 . . . . 0.0 110.863 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 125.15 150.89 7.89 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.549 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.12 -39.28 71.17 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.73 2.287 . . . . 0.0 112.327 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 24.3 p -155.9 174.36 15.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 40.5 t -84.7 127.35 34.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.824 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.496 179.982 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.3 p -104.37 157.29 17.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.909 0.385 . . . . 0.0 110.85 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.7 m -115.16 110.35 19.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.06 -61.22 1.42 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.506 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -112.02 127.19 55.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.838 0.351 . . . . 0.0 110.865 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 t -101.73 114.14 27.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.76 98.91 2.16 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.538 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.541 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.5 pp -111.57 -178.69 3.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.933 0.396 . . . . 0.0 110.907 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 11' ' ' GLY . 13.6 t -105.04 148.51 26.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.793 HG12 HD12 ' A' ' 14' ' ' LEU . 75.6 t -40.4 -24.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.109 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -77.3 -48.4 8.24 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.546 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.432 ' H ' HG23 ' A' ' 9' ' ' THR . 6.6 m-20 -52.12 -57.66 8.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.8 0.333 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.624 ' CZ3' HG11 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -57.82 -61.14 2.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.793 HD12 HG12 ' A' ' 10' ' ' VAL . 39.4 mt -46.89 -44.88 20.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -49.3 -44.87 44.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.0 t -51.33 -45.6 62.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.481 HG21 ' OG ' ' A' ' 62' ' ' SER . 34.6 pt -89.54 12.55 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.9 mmp_? 59.99 36.69 21.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.477 ' HG3' ' CD1' ' A' ' 17' ' ' ILE . 31.3 mmt -118.94 -1.81 10.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.844 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.471 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -50.91 -19.55 3.58 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -61.42 -26.66 68.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.35 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.586 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 29.2 m-85 -90.43 -10.53 43.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 22' ' ' TYR . 7.8 ttt-85 -36.41 -60.09 0.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -42.14 -39.35 1.97 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.586 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 15.1 m-70 -58.72 -60.87 3.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.568 ' CD1' HD13 ' A' ' 48' ' ' LEU . 21.5 m-85 -46.08 -48.13 17.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.99 -34.6 60.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.1 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.33 -39.34 65.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.09 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.53 2.1 40.6 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.471 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.26 19.08 31.48 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.468 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.536 ' CD1' ' SD ' ' A' ' 40' ' ' MET . 72.2 m-85 -122.4 102.05 7.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.877 0.37 . . . . 0.0 110.908 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.0 t -113.8 -11.6 12.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.476 ' O ' HG23 ' A' ' 37' ' ' VAL . 13.9 m -120.33 167.32 12.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.502 HD11 ' CB ' ' A' ' 13' ' ' TRP . 0.3 OUTLIER -76.92 -45.26 28.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.94 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -44.18 -46.36 8.14 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 6.7 ptp -75.75 -29.89 59.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.815 0.34 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.624 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 11.1 t -69.34 -30.71 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.631 HD21 HD12 ' A' ' 70' ' ' LEU . 5.4 mp -67.87 -23.01 65.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.4 ptp85 -96.29 15.24 21.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.536 ' SD ' ' CD1' ' A' ' 31' ' ' TYR . 58.0 mtp -97.61 164.86 12.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.872 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 42' ' ' ALA . 1.7 m-80 -149.58 167.56 26.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 41' ' ' ASN . . . -36.04 -47.19 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.102 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -50.7 -48.55 58.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -73.57 -56.06 5.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.007 HG21 ' CD2' ' A' ' 60' ' ' LEU . 70.3 t -46.68 -54.68 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -43.09 -46.48 5.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.62 -34.33 64.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.568 HD13 ' CD1' ' A' ' 26' ' ' PHE . 48.5 mt -60.52 -25.78 66.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 122.2 -27.85 5.99 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.47 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.742 ' H ' HD12 ' A' ' 50' ' ' ILE . 2.0 mp -70.82 104.65 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.865 0.365 . . . . 0.0 111.123 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.476 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 81.2 p -119.97 -17.31 8.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.532 ' O ' ' C ' ' A' ' 53' ' ' MET . 5.3 mp -50.06 99.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.532 ' C ' ' O ' ' A' ' 52' ' ' LEU . 19.8 mmt -27.54 -54.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.445 ' O ' ' HG2' ' A' ' 58' ' ' LYS . . . -51.44 -62.86 5.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.47 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.49 ' O ' ' N ' ' A' ' 58' ' ' LYS . 3.9 m-70 -61.09 -52.94 62.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.761 0.315 . . . . 0.0 110.839 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.476 ' NE2' ' HA ' ' A' ' 51' ' ' THR . 7.9 mt-30 -43.56 -30.64 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -79.52 -31.32 42.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -67.09 -55.43 14.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 179.844 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.416 HG21 ' HZ ' ' A' ' 26' ' ' PHE . 88.6 mt -58.42 -61.32 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.087 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 1.007 ' CD2' HG21 ' A' ' 45' ' ' VAL . 4.0 mm? -58.92 -60.67 3.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.426 ' O ' HG22 ' A' ' 65' ' ' THR . . . -41.5 -37.91 1.95 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.448 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.481 ' OG ' HG21 ' A' ' 17' ' ' ILE . 68.3 m -78.93 -28.24 43.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.86 0.362 . . . . 0.0 110.849 -179.732 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.556 HG23 ' HA ' ' A' ' 38' ' ' LEU . 68.5 mt -74.64 -50.25 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.186 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.427 ' HG2' ' N ' ' A' ' 65' ' ' THR . 3.2 pt20 -49.37 -41.63 39.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.427 ' N ' ' HG2' ' A' ' 64' ' ' GLN . 3.8 t -82.73 -36.44 25.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.527 ' O ' HD12 ' A' ' 70' ' ' LEU . 9.4 mtp -54.79 -39.02 68.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' ' 63' ' ' ILE . 3.3 ptm180 -84.83 -35.98 21.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.62 -41.93 64.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.087 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -78.84 -39.72 34.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.631 HD12 HD21 ' A' ' 38' ' ' LEU . 22.6 mt -78.55 -179.58 6.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 49.7 p -119.52 -38.28 3.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.173 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.4 m 60.62 42.59 13.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 92.5 m -93.45 106.62 18.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.127 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -90.08 -50.26 6.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 131.6 -46.45 1.07 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.1 m -80.49 148.56 30.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 0.0 110.823 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -132.41 -167.28 11.75 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.508 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.08 -177.09 0.02 OUTLIER 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.731 2.288 . . . . 0.0 112.307 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 49.9 m -150.3 101.63 3.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 28.2 t -119.66 109.07 15.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.847 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.484 -179.986 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 t 61.4 40.63 13.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.859 0.361 . . . . 0.0 110.85 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 t -136.16 127.54 28.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.846 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.98 63.91 1.99 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.3 p -65.35 135.82 55.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.903 0.382 . . . . 0.0 110.854 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.4 p -101.88 152.79 20.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.874 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.02 44.73 4.06 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.583 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.4 pp -118.69 -176.09 3.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.909 0.385 . . . . 0.0 110.904 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.522 ' O ' ' N ' ' A' ' 11' ' ' GLY . 8.8 t -110.79 148.51 32.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.161 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.676 HG12 HD12 ' A' ' 14' ' ' LEU . 55.0 t -36.02 -28.24 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.16 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -74.17 -49.28 12.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.494 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.437 ' CB ' ' HB2' ' A' ' 8' ' ' LEU . 4.1 t0 -49.87 -65.16 0.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 110.879 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.564 ' H ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -50.72 -62.14 1.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.947 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.676 HD12 HG12 ' A' ' 10' ' ' VAL . 54.2 mt -47.55 -39.69 17.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -53.48 -39.69 64.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.4 m -56.87 -37.23 71.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.832 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.607 HD11 HD23 ' A' ' 14' ' ' LEU . 15.5 pt -97.13 14.37 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.124 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? 54.86 28.85 10.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.417 ' HG2' ' CG1' ' A' ' 17' ' ' ILE . 23.1 mmm -110.61 5.18 20.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -51.63 -18.6 4.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.523 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.435 ' HB2' ' NH1' ' A' ' 21' ' ' ARG . 0.5 OUTLIER -62.02 -20.41 63.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 110.843 -179.883 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.589 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 41.5 m-85 -94.67 -11.01 30.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.987 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.418 ' HG3' HG12 ' A' ' 10' ' ' VAL . 17.8 ttt180 -41.52 -55.0 3.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.84 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -44.59 -34.87 2.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.589 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 12.9 m-70 -64.08 -60.8 2.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.512 ' CD2' HD11 ' A' ' 48' ' ' LEU . 33.2 m-85 -45.57 -43.43 12.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.86 -30.82 66.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.082 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.01 -40.71 53.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.93 1.8 29.46 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.454 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.74 22.57 20.68 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.612 ' CE1' ' SD ' ' A' ' 40' ' ' MET . 94.6 m-85 -119.76 105.51 11.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.91 0.386 . . . . 0.0 110.916 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.6 t -112.43 -11.38 13.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.846 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.549 ' O ' HG23 ' A' ' 37' ' ' VAL . 67.2 m -132.99 172.25 12.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.837 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.496 ' HG ' HD11 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -76.88 -34.79 57.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -44.62 -47.34 8.98 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.423 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.7 -33.48 40.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.842 0.353 . . . . 0.0 110.869 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 33' ' ' SER . 27.3 t -56.47 -34.14 40.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.678 HD13 HG23 ' A' ' 63' ' ' ILE . 2.1 mm? -76.66 -0.53 23.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.959 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -103.58 -18.58 14.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.612 ' SD ' ' CE1' ' A' ' 31' ' ' TYR . 0.4 OUTLIER -93.9 174.5 7.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.915 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.461 ' O ' ' C ' ' A' ' 42' ' ' ALA . 55.8 t30 -160.69 -179.98 8.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.461 ' C ' ' O ' ' A' ' 41' ' ' ASN . . . -33.01 -39.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.081 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 41' ' ' ASN . 41.8 mt-30 -58.33 -54.08 51.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 41' ' ' ASN . 54.1 m-20 -74.77 -45.14 45.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.664 HG21 HD21 ' A' ' 60' ' ' LEU . 59.3 t -50.28 -54.36 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.081 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 2.6 tmm_? -42.75 -42.24 3.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.95 -34.87 75.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.061 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.612 HD11 ' HE1' ' A' ' 40' ' ' MET . 73.6 mt -58.53 -29.75 66.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 122.66 -17.54 8.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.745 ' H ' HD12 ' A' ' 50' ' ' ILE . 2.8 mp -79.61 102.97 6.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.859 0.361 . . . . 0.0 111.16 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.492 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 72.9 p -119.91 -21.85 6.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 55' ' ' HIS . 2.7 mp -49.97 103.64 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.455 ' C ' ' O ' ' A' ' 52' ' ' LEU . 30.0 mmt -33.52 -53.48 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -51.05 -42.79 48.88 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.474 ' N ' ' O ' ' A' ' 52' ' ' LEU . 12.9 m170 -81.79 -60.5 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.775 0.321 . . . . 0.0 110.846 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.492 ' NE2' ' HA ' ' A' ' 51' ' ' THR . 12.8 mt-30 -36.56 -34.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -68.88 -47.28 66.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.472 ' HD2' ' N ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -56.32 -63.14 1.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 179.875 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.691 HD12 HG21 ' A' ' 50' ' ' ILE . 91.0 mt -49.62 -70.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.123 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.664 HD21 HG21 ' A' ' 45' ' ' VAL . 3.6 mm? -52.84 -60.2 3.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -40.32 -36.65 0.98 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.526 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.575 ' O ' HG22 ' A' ' 65' ' ' THR . 1.5 m -78.07 -36.72 47.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 0.0 110.845 -179.762 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.678 HG23 HD13 ' A' ' 38' ' ' LEU . 67.0 mt -65.65 -51.95 56.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.157 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -49.76 -39.54 38.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.575 HG22 ' O ' ' A' ' 62' ' ' SER . 10.4 t -82.67 -24.5 33.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.511 ' HB3' HD11 ' A' ' 38' ' ' LEU . 18.0 mtm -72.81 -29.21 63.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.516 ' HB3' HD12 ' A' ' 38' ' ' LEU . 5.4 ptt85 -89.52 -36.92 15.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -48.46 -44.39 35.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -56.23 -30.52 62.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 22.9 mt -84.05 -56.9 3.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.6 p -46.58 -44.05 17.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.164 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 56.8 m -68.39 110.15 3.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 75.5 p -110.81 167.55 10.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.115 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -37.85 -43.87 0.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 138.37 -104.59 0.45 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.439 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.9 m 57.53 42.79 23.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 110.853 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.23 95.22 1.08 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.473 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.1 118.92 5.03 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.753 2.302 . . . . 0.0 112.273 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 34.4 t -117.95 110.92 18.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.843 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.2 t -107.87 112.17 24.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.811 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.486 -179.989 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.549 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.5 pp . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.908 0.385 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.48 HG23 ' H ' ' A' ' 12' ' ' ASP . 9.6 t -105.28 148.92 26.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.767 HG12 HD12 ' A' ' 14' ' ' LEU . 74.6 t -39.97 -25.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.094 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -76.71 -52.46 5.9 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.451 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.48 ' H ' HG23 ' A' ' 9' ' ' THR . 4.0 m-20 -47.93 -58.08 4.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.853 0.358 . . . . 0.0 110.854 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.665 ' CZ3' HG11 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -56.96 -63.44 1.21 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.767 HD12 HG12 ' A' ' 10' ' ' VAL . 37.8 mt -44.84 -41.27 6.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -53.63 -39.97 65.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.9 m -51.85 -41.19 61.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.607 HD12 ' HB3' ' A' ' 58' ' ' LYS . 25.7 pt -98.14 12.7 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.8 mtt85 60.7 38.42 18.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.429 ' CG ' HG13 ' A' ' 17' ' ' ILE . 31.8 mmt -118.72 -1.73 11.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.473 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -50.27 -20.47 3.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.516 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -58.75 -25.53 63.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.35 . . . . 0.0 110.855 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.512 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 38.6 m-85 -90.99 -11.6 38.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 22' ' ' TYR . 11.9 ttt-85 -34.68 -63.22 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.495 ' OD1' ' CD2' ' A' ' 25' ' ' HIS . 2.9 p30 -37.21 -41.68 0.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.834 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.512 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 19.1 m-70 -57.04 -57.86 10.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.579 ' CG ' ' CD1' ' A' ' 48' ' ' LEU . 25.7 m-85 -45.29 -49.84 12.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.28 -31.75 45.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.26 -36.69 46.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.49 5.07 38.85 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.466 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.81 20.12 34.98 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.474 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.703 ' CE2' ' CG ' ' A' ' 40' ' ' MET . 85.1 m-85 -122.01 107.23 11.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 110.904 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.6 t -112.96 -11.46 13.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.506 ' O ' HG23 ' A' ' 37' ' ' VAL . 13.5 m -133.31 175.44 9.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.86 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.488 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -80.9 -36.7 30.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -40.82 -35.65 0.96 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.77 -34.65 13.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.665 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 51.6 t -59.47 -35.24 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.912 HD11 ' HB3' ' A' ' 66' ' ' MET . 4.1 mm? -66.24 -24.32 66.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -102.01 19.91 17.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.703 ' CG ' ' CE2' ' A' ' 31' ' ' TYR . 36.6 mtp -95.56 174.34 7.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.463 ' O ' ' N ' ' A' ' 44' ' ' ASP . 0.6 OUTLIER -161.14 169.51 22.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.454 ' N ' HD21 ' A' ' 60' ' ' LEU . . . -36.78 -45.56 0.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.087 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -54.9 -43.16 72.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 41' ' ' ASN . 5.1 m-20 -77.92 -51.21 10.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 87.8 t -52.6 -54.39 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -47.17 -43.82 21.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.03 -36.7 70.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.579 ' CD1' ' CG ' ' A' ' 26' ' ' PHE . 18.5 mt -60.55 -22.9 64.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.959 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 119.51 -27.37 6.94 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.777 ' H ' HD12 ' A' ' 50' ' ' ILE . 2.5 mp -69.63 102.71 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.926 0.393 . . . . 0.0 111.072 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.469 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 52.2 p -118.01 -27.5 6.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.137 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.414 ' H ' HD12 ' A' ' 52' ' ' LEU . 5.2 mp -50.09 112.49 0.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.439 ' HA ' ' CE ' ' A' ' 53' ' ' MET . 11.8 mmm -43.13 -44.51 5.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -53.09 -34.66 47.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.484 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.495 ' O ' ' N ' ' A' ' 58' ' ' LYS . 13.0 m170 -96.92 -58.54 2.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.763 0.316 . . . . 0.0 110.833 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.469 ' NE2' ' HA ' ' A' ' 51' ' ' THR . 10.4 mt-30 -36.68 -40.86 0.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -62.74 -43.42 98.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.607 ' HB3' HD12 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -59.17 -64.81 0.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.903 179.89 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.603 HD12 HG21 ' A' ' 50' ' ' ILE . 72.0 mt -49.25 -64.4 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.454 HD21 ' N ' ' A' ' 42' ' ' ALA . 16.9 mt -52.3 -57.87 8.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -56.08 -28.9 54.84 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.542 ' HB2' HG21 ' A' ' 17' ' ' ILE . 29.6 t -77.13 -27.92 54.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.847 0.356 . . . . 0.0 110.858 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 84.3 mt -84.48 -48.29 16.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -49.54 -29.45 6.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.892 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 15.3 t -90.04 -30.0 18.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.912 ' HB3' HD11 ' A' ' 38' ' ' LEU . 11.7 mtm . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.571 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.4 pp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.944 0.402 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 11' ' ' GLY . 12.6 t -105.73 148.63 27.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.157 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.837 HG12 HD12 ' A' ' 14' ' ' LEU . 92.3 t -39.29 -25.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.157 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -76.42 -49.14 8.45 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.485 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.423 ' H ' HG23 ' A' ' 9' ' ' THR . 0.9 OUTLIER -51.16 -57.51 8.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.818 0.342 . . . . 0.0 110.89 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.599 ' CD1' ' SD ' ' A' ' 66' ' ' MET . 0.1 OUTLIER -58.45 -63.06 1.41 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.837 HD12 HG12 ' A' ' 10' ' ' VAL . 47.0 mt -44.82 -46.57 10.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.96 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -48.66 -44.56 37.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.1 t -51.98 -44.0 63.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.831 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.746 HG21 ' OG ' ' A' ' 62' ' ' SER . 40.2 pt -90.47 13.73 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.11 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 61.64 33.67 18.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.427 ' C ' ' HB3' ' A' ' 14' ' ' LEU . 28.4 mmt -119.48 -1.21 10.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.466 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -52.82 -21.48 9.92 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.446 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -63.14 -22.1 66.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.812 0.339 . . . . 0.0 110.876 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.541 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 36.4 m-85 -92.29 -10.09 39.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.929 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -38.27 -59.38 0.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -40.19 -38.13 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.828 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.541 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 16.1 m-70 -60.55 -59.95 4.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.599 ' CG ' HD13 ' A' ' 48' ' ' LEU . 34.2 m-85 -45.3 -47.14 13.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.864 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.77 -30.56 57.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.095 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.95 -36.8 56.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -77.96 6.44 48.74 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.481 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.18 14.6 57.27 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.518 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.548 ' CG ' ' SD ' ' A' ' 40' ' ' MET . 72.1 m-85 -119.99 103.4 9.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.928 0.394 . . . . 0.0 110.926 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 72.3 p -119.69 1.77 11.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.839 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.489 ' O ' HG23 ' A' ' 37' ' ' VAL . 8.7 m -132.8 167.46 20.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.485 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -79.89 -41.43 26.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -49.55 -35.73 22.86 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.491 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 7.6 ptp -88.88 -32.37 17.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.55 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 3.6 t -63.53 -36.53 76.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.3 mt -61.06 -15.28 30.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -98.1 -6.22 32.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.548 ' SD ' ' CG ' ' A' ' 31' ' ' TYR . 48.4 mtp -76.06 172.19 13.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 42' ' ' ALA . 66.9 m-80 -161.89 168.14 23.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.446 ' N ' HD21 ' A' ' 60' ' ' LEU . . . -33.66 -45.89 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.061 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -55.65 -53.61 54.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.97 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -69.69 -54.31 14.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 79.9 t -47.5 -54.21 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.417 ' CD ' ' C ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -47.31 -44.95 23.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.916 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.71 -32.87 65.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.599 HD13 ' CG ' ' A' ' 26' ' ' PHE . 51.9 mt -63.63 -23.65 67.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 121.25 -28.2 6.12 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.519 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.819 HG21 HD12 ' A' ' 59' ' ' ILE . 2.9 mp -68.04 102.53 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.909 0.385 . . . . 0.0 111.15 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.48 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 59.5 p -119.65 -23.26 6.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.133 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 53' ' ' MET . 3.8 mm? -50.25 113.61 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.877 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.497 ' O ' ' CG ' ' A' ' 57' ' ' LYS . 0.1 OUTLIER -35.85 -52.99 0.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.401 ' O ' ' HD3' ' A' ' 58' ' ' LYS . . . -54.92 -48.22 68.16 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.464 ' CD2' ' N ' ' A' ' 55' ' ' HIS . 7.2 m170 -70.24 -60.77 2.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.774 0.321 . . . . 0.0 110.846 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.494 ' CG ' ' O ' ' A' ' 50' ' ' ILE . 17.5 mt-30 -46.4 -40.85 12.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.497 ' CG ' ' O ' ' A' ' 53' ' ' MET . 22.5 mmtt -62.48 -48.59 78.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.431 ' N ' ' HD2' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -58.62 -59.52 5.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.878 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.819 HD12 HG21 ' A' ' 50' ' ' ILE . 63.5 mt -54.1 -65.29 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.446 HD21 ' N ' ' A' ' 42' ' ' ALA . 59.2 mt -52.52 -59.62 4.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -54.26 -29.28 45.28 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.746 ' OG ' HG21 ' A' ' 17' ' ' ILE . 37.9 m -80.05 -27.36 39.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.815 0.341 . . . . 0.0 110.85 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 94.1 mt -81.02 -49.38 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.447 ' HG3' ' N ' ' A' ' 65' ' ' THR . 0.3 OUTLIER -49.88 -37.67 32.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.958 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.447 ' N ' ' HG3' ' A' ' 64' ' ' GLN . 10.0 t -84.19 -30.97 25.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.165 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.599 ' SD ' ' CD1' ' A' ' 13' ' ' TRP . 10.4 mtp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.845 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.565 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.3 pp . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.906 0.384 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.507 HG23 ' H ' ' A' ' 12' ' ' ASP . 9.6 t -104.97 147.05 28.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.725 HG12 HD12 ' A' ' 14' ' ' LEU . 63.8 t -37.45 -33.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -68.39 -54.7 15.01 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.492 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.507 ' H ' HG23 ' A' ' 9' ' ' THR . 0.9 OUTLIER -45.73 -62.21 1.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.762 0.315 . . . . 0.0 110.881 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.599 ' HZ3' HG13 ' A' ' 10' ' ' VAL . 0.1 OUTLIER -52.1 -62.49 1.6 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.725 HD12 HG12 ' A' ' 10' ' ' VAL . 52.1 mt -47.49 -36.21 9.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -56.82 -37.78 71.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.6 t -57.03 -40.71 77.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.559 HG21 ' HB2' ' A' ' 62' ' ' SER . 17.0 pt -94.9 18.71 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.185 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 45.0 mtm180 54.02 35.24 21.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.441 ' CG ' HD12 ' A' ' 17' ' ' ILE . 39.5 mmm -119.63 2.88 11.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -51.21 -17.67 2.75 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.505 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -62.8 -25.41 68.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.777 0.322 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.593 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 39.5 m-85 -91.66 -8.54 46.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -45.99 -42.57 13.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.873 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -57.35 -31.55 65.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.593 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 10.3 m-70 -66.65 -54.9 18.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.613 ' CD1' ' CD1' ' A' ' 48' ' ' LEU . 21.0 m-85 -46.76 -45.87 20.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.51 -29.27 61.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.078 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.57 -34.8 40.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.108 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.15 8.85 50.23 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.9 15.05 58.5 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.544 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.602 ' CD2' ' SD ' ' A' ' 40' ' ' MET . 75.1 m-85 -121.25 105.46 10.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.935 0.398 . . . . 0.0 110.889 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.431 ' C ' HG23 ' A' ' 10' ' ' VAL . 3.2 t -117.69 -12.66 10.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.882 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.584 ' O ' HG23 ' A' ' 37' ' ' VAL . 9.0 m -120.63 169.97 9.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.491 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -80.99 -42.24 21.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.874 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -47.1 -30.76 5.53 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.478 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 8.0 ptp -94.39 -23.18 17.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.798 0.332 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 33' ' ' SER . 12.7 t -72.05 -32.11 42.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.149 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.709 HD13 HG23 ' A' ' 63' ' ' ILE . 4.3 mm? -66.1 -21.66 66.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -98.0 19.79 13.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.602 ' SD ' ' CD2' ' A' ' 31' ' ' TYR . 23.1 mtp -103.5 162.79 12.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -148.07 -179.6 7.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.472 ' HA ' HD11 ' A' ' 60' ' ' LEU . . . -42.46 -44.5 4.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -57.46 -47.82 80.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.435 ' CB ' ' HE3' ' A' ' 40' ' ' MET . 26.4 m-20 -70.22 -58.16 4.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.8 t -50.17 -54.06 9.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.873 ' HD2' HG22 ' A' ' 51' ' ' THR . 14.5 tpt180 -49.84 -41.02 44.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.29 -37.68 75.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.079 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.613 ' CD1' ' CD1' ' A' ' 26' ' ' PHE . 38.5 mt -58.7 -25.84 63.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.414 ' O ' HG23 ' A' ' 51' ' ' THR . . . 124.33 -23.6 6.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.482 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.746 ' H ' HD12 ' A' ' 50' ' ' ILE . 2.9 mp -72.5 103.63 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.895 0.379 . . . . 0.0 111.09 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.873 HG22 ' HD2' ' A' ' 46' ' ' ARG . 1.5 p -118.37 -28.57 5.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.117 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 53' ' ' MET . 2.3 mt -50.87 109.63 0.34 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.424 ' C ' ' O ' ' A' ' 52' ' ' LEU . 37.2 mmt -36.57 -56.6 0.81 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -42.77 -40.18 3.88 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.487 ' O ' ' N ' ' A' ' 58' ' ' LYS . 21.4 m170 -89.58 -58.62 2.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.74 0.305 . . . . 0.0 110.843 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.491 ' NE2' ' HA ' ' A' ' 51' ' ' THR . 11.2 mt-30 -39.66 -41.04 1.0 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -65.45 -37.62 87.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.535 ' HB3' HD12 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -64.85 -62.05 1.8 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.915 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.537 HD12 HG21 ' A' ' 50' ' ' ILE . 77.6 mt -52.19 -58.1 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.127 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.472 HD11 ' HA ' ' A' ' 42' ' ' ALA . 18.6 mt -59.7 -58.27 9.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -54.67 -28.22 45.32 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.456 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.559 ' HB2' HG21 ' A' ' 17' ' ' ILE . 23.3 t -76.63 -25.63 54.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.897 0.379 . . . . 0.0 110.889 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.709 HG23 HD13 ' A' ' 38' ' ' LEU . 82.3 mt -86.04 -49.77 14.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.182 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -46.52 -30.37 2.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.941 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.8 t -88.63 -30.75 18.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.6 ' HB3' HD11 ' A' ' 38' ' ' LEU . 15.4 mtm . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.595 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.3 pp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.91 0.386 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.533 ' O ' ' N ' ' A' ' 11' ' ' GLY . 9.7 t -106.22 148.1 28.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.792 HG12 HD12 ' A' ' 14' ' ' LEU . 68.0 t -35.39 -29.15 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.133 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -72.07 -51.61 13.74 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.442 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.464 ' HB3' HD13 ' A' ' 8' ' ' LEU . 5.4 t0 -48.07 -64.86 0.68 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.848 0.356 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.576 ' CH2' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -50.87 -63.64 1.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.792 HD12 HG12 ' A' ' 10' ' ' VAL . 47.6 mt -44.77 -42.12 7.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -52.85 -39.72 62.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.7 t -52.06 -44.49 64.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.575 HD12 ' HB3' ' A' ' 58' ' ' LYS . 34.2 pt -94.04 14.28 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.12 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 48.4 mtp180 60.29 37.15 20.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.401 ' CG ' HG13 ' A' ' 17' ' ' ILE . 32.0 mmt -118.67 -1.82 11.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.444 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -51.14 -20.71 4.93 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.487 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -60.44 -25.18 65.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 0.0 110.865 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.551 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 33.9 m-85 -90.55 -9.91 45.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 22' ' ' TYR . 24.2 ttt180 -37.94 -60.64 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -39.2 -38.11 0.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.826 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.551 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 15.4 m-70 -61.12 -58.41 8.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.62 ' CG ' ' CD1' ' A' ' 48' ' ' LEU . 23.7 m-85 -46.02 -47.0 16.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.65 -29.66 59.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.121 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.43 -34.96 41.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.48 8.18 49.26 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.23 16.67 57.12 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.517 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.592 ' CD1' ' SD ' ' A' ' 40' ' ' MET . 80.1 m-85 -121.51 101.69 7.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.848 0.356 . . . . 0.0 110.914 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 60.2 p -114.57 -9.68 12.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.591 ' O ' HG23 ' A' ' 37' ' ' VAL . 12.4 m -123.35 168.5 12.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.823 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.61 HD12 ' SD ' ' A' ' 66' ' ' MET . 0.3 OUTLIER -78.2 -43.29 28.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.874 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -46.11 -45.2 14.98 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 7.6 ptp -78.55 -20.86 49.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 33' ' ' SER . 10.8 t -75.96 -37.24 33.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.535 HD21 ' SD ' ' A' ' 66' ' ' MET . 41.3 mt -61.9 -19.27 62.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -101.49 19.9 17.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.592 ' SD ' ' CD1' ' A' ' 31' ' ' TYR . 37.7 mtp -99.49 166.43 11.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.477 ' O ' ' N ' ' A' ' 44' ' ' ASP . 2.2 m-80 -151.25 168.24 25.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.782 ' HA ' HD11 ' A' ' 60' ' ' LEU . . . -34.33 -48.12 0.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -53.68 -45.7 70.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 41' ' ' ASN . 66.3 m-20 -72.19 -59.7 2.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.1 t -48.15 -53.85 5.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.84 -44.16 28.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.86 -35.31 68.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.075 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.62 ' CD1' ' CG ' ' A' ' 26' ' ' PHE . 22.7 mt -60.49 -25.47 66.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 124.03 -27.2 5.68 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.776 ' H ' HD12 ' A' ' 50' ' ' ILE . 2.9 mp -70.16 103.25 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.9 0.381 . . . . 0.0 111.153 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.479 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 44.4 p -117.91 -28.2 5.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.9 mp -50.05 115.38 1.39 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.934 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 35.6 mmt -43.8 -48.74 8.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -52.14 -31.09 32.96 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.476 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.468 ' O ' ' N ' ' A' ' 58' ' ' LYS . 14.0 m170 -97.0 -62.49 1.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.752 0.31 . . . . 0.0 110.86 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.492 ' CG ' ' O ' ' A' ' 50' ' ' ILE . 12.9 mt-30 -36.73 -47.35 0.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -57.52 -43.24 84.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.575 ' HB3' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -60.38 -64.52 0.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.906 179.832 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.732 HD12 HG21 ' A' ' 50' ' ' ILE . 74.0 mt -50.99 -63.45 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.782 HD11 ' HA ' ' A' ' 42' ' ' ALA . 15.5 mt -55.94 -59.91 4.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -51.84 -32.48 33.62 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.545 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.463 ' HB2' HG21 ' A' ' 17' ' ' ILE . 24.6 t -71.93 -34.23 68.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.849 0.357 . . . . 0.0 110.867 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.576 HD11 ' CH2' ' A' ' 13' ' ' TRP . 62.2 mt -79.04 -54.77 11.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -38.9 -34.06 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 15.0 t -94.24 -27.15 16.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.61 ' SD ' HD12 ' A' ' 34' ' ' LEU . 4.1 ttm . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.555 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.4 pp . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.932 0.396 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 11' ' ' GLY . 12.8 t -106.16 147.45 29.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.709 HG12 HD12 ' A' ' 14' ' ' LEU . 78.8 t -38.72 -25.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -75.85 -51.64 6.92 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.43 ' H ' HG23 ' A' ' 9' ' ' THR . 5.7 m-20 -49.2 -58.46 4.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.803 0.335 . . . . 0.0 110.847 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.577 ' CE3' ' HG ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.06 -63.56 1.14 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.709 HD12 HG12 ' A' ' 10' ' ' VAL . 39.1 mt -44.97 -42.84 8.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.939 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -51.01 -42.57 60.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.4 t -52.64 -41.22 63.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.769 HD12 ' HG3' ' A' ' 19' ' ' MET . 24.8 pt -96.39 18.45 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.135 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 47.1 mtt85 55.85 33.56 21.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.769 ' HG3' HD12 ' A' ' 17' ' ' ILE . 34.3 mmt -115.09 -2.17 12.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.475 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -50.51 -25.81 9.23 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -57.81 -25.97 61.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.851 0.358 . . . . 0.0 110.857 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.543 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 32.9 m-85 -88.74 -10.51 48.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -39.14 -57.8 1.26 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -41.51 -37.61 1.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.543 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 15.5 m-70 -61.05 -60.0 4.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.594 ' CG ' HD13 ' A' ' 48' ' ' LEU . 31.3 m-85 -44.62 -45.99 9.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.25 -32.65 56.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.28 -39.09 60.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.87 3.36 36.58 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.5 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.53 16.76 51.75 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.467 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.544 ' CG ' ' SD ' ' A' ' 40' ' ' MET . 85.3 m-85 -118.94 107.96 14.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.898 0.38 . . . . 0.0 110.946 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.2 t -119.96 -10.39 9.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.85 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.503 ' O ' HG23 ' A' ' 37' ' ' VAL . 14.8 m -122.23 169.04 11.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.49 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -81.67 -41.26 21.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.884 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -48.84 -30.07 8.73 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.431 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.409 ' SD ' ' HA ' ' A' ' 31' ' ' TYR . 15.3 ptp -94.38 -26.02 16.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.339 . . . . 0.0 110.856 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 33' ' ' SER . 5.7 t -69.04 -42.17 81.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.771 HD13 HG23 ' A' ' 63' ' ' ILE . 3.4 mm? -56.46 -22.35 31.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.873 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.7 mmt85 -87.96 -18.05 29.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.544 ' SD ' ' CG ' ' A' ' 31' ' ' TYR . 39.5 mtp -65.21 179.27 0.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.507 ' O ' ' N ' ' A' ' 44' ' ' ASP . 0.9 OUTLIER -169.09 164.46 11.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.76 ' HA ' HD21 ' A' ' 60' ' ' LEU . . . -32.81 -37.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.075 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 41' ' ' ASN . 9.1 tm0? -63.09 -48.89 76.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 41' ' ' ASN . 66.1 m-20 -77.3 -44.36 29.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.616 HG11 HD11 ' A' ' 60' ' ' LEU . 42.8 t -53.48 -55.38 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.679 ' HG2' HG22 ' A' ' 51' ' ' THR . 4.5 tmm_? -47.52 -45.09 26.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.87 -34.77 60.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.074 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.594 HD13 ' CG ' ' A' ' 26' ' ' PHE . 36.4 mt -63.89 -25.31 68.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 123.49 -30.24 4.99 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.511 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.739 ' H ' HD12 ' A' ' 50' ' ' ILE . 2.3 mp -66.25 101.66 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.873 0.368 . . . . 0.0 111.151 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.679 HG22 ' HG2' ' A' ' 46' ' ' ARG . 74.4 p -119.98 -18.72 8.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.464 ' O ' ' C ' ' A' ' 53' ' ' MET . 3.6 mm? -50.33 107.38 0.16 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.464 ' C ' ' O ' ' A' ' 52' ' ' LEU . 0.3 OUTLIER -32.36 -55.23 0.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.904 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -53.79 -49.11 59.56 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -68.93 -59.36 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.735 0.303 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.494 ' O ' HD13 ' A' ' 60' ' ' LEU . 19.5 mt-30 -45.37 -32.09 1.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.936 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -70.42 -34.16 72.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.468 ' HD3' ' N ' ' A' ' 58' ' ' LYS . 5.9 mmtt -73.52 -56.4 5.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.657 HD12 HG21 ' A' ' 50' ' ' ILE . 63.4 mt -55.08 -60.17 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.126 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.76 HD21 ' HA ' ' A' ' 42' ' ' ALA . 9.6 mp -62.05 -52.12 65.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -55.71 -35.37 62.44 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.45 ' O ' ' CG2' ' A' ' 65' ' ' THR . 10.0 t -75.62 -36.85 60.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.883 0.373 . . . . 0.0 110.855 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.771 HG23 HD13 ' A' ' 38' ' ' LEU . 89.8 mt -69.92 -53.49 23.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.155 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.446 ' HG3' ' N ' ' A' ' 65' ' ' THR . 1.0 OUTLIER -48.29 -32.53 7.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.45 ' CG2' ' O ' ' A' ' 62' ' ' SER . 9.5 t -87.64 -38.33 15.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.488 ' HB3' HD11 ' A' ' 38' ' ' LEU . 18.6 mtm . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.605 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.3 pp . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.908 0.385 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 11' ' ' GLY . 9.9 t -105.59 145.92 30.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.183 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.715 HG12 HD12 ' A' ' 14' ' ' LEU . 69.8 t -36.86 -28.32 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.075 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -72.73 -48.03 23.88 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.452 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.429 ' H ' HG23 ' A' ' 9' ' ' THR . 0.6 OUTLIER -53.03 -63.78 1.04 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.801 0.334 . . . . 0.0 110.866 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.601 ' CE3' ' HG ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -50.57 -60.11 3.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.968 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.715 HD12 HG12 ' A' ' 10' ' ' VAL . 40.5 mt -48.11 -49.21 32.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -49.15 -37.47 22.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.8 t -53.92 -46.73 71.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.496 HG21 ' HB2' ' A' ' 62' ' ' SER . 46.9 pt -91.9 16.95 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.153 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.3 mtm-85 63.23 31.57 15.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.435 ' C ' ' HB3' ' A' ' 14' ' ' LEU . 32.6 mmt -115.63 -0.27 13.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.412 ' HA2' ' CB ' ' A' ' 14' ' ' LEU . . . -52.57 -14.4 2.41 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.485 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -69.09 -25.88 64.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.839 0.352 . . . . 0.0 110.879 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.574 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 43.1 m-85 -92.86 -6.94 47.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.49 ' CG ' ' N ' ' A' ' 24' ' ' ASP . 4.6 ptm180 -43.38 -50.45 6.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.49 ' N ' ' CG ' ' A' ' 23' ' ' ARG . 6.0 t0 -50.27 -35.25 26.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.574 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 13.4 m-70 -62.45 -56.74 15.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.661 ' CE2' ' HE1' ' A' ' 40' ' ' MET . 24.6 m-85 -46.48 -48.97 18.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.95 -35.29 66.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.088 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.59 -33.14 64.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.074 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.63 5.42 64.8 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.467 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.35 14.12 49.15 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.539 ' CD1' ' SD ' ' A' ' 40' ' ' MET . 68.1 m-85 -122.29 100.37 6.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.914 0.388 . . . . 0.0 110.924 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 42.1 m -110.58 -9.48 14.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.896 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.495 ' O ' HG23 ' A' ' 37' ' ' VAL . 11.5 m -123.33 169.16 11.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.855 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.514 HD12 ' SD ' ' A' ' 66' ' ' MET . 0.3 OUTLIER -78.04 -44.85 25.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -44.95 -45.82 9.3 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.511 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 6.7 ptp -76.82 -22.55 53.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.506 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 11.3 t -77.67 -29.16 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.127 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.505 ' HA ' HG23 ' A' ' 63' ' ' ILE . 5.9 mp -68.8 -23.02 64.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -97.43 15.56 22.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.661 ' HE1' ' CE2' ' A' ' 26' ' ' PHE . 54.2 mtp -94.53 173.04 7.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.498 ' O ' ' N ' ' A' ' 44' ' ' ASP . 57.3 m-80 -155.35 166.58 33.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 41' ' ' ASN . . . -34.06 -48.55 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.07 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -53.94 -44.71 70.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.498 ' N ' ' O ' ' A' ' 41' ' ' ASN . 0.5 OUTLIER -72.64 -60.74 2.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 77.0 t -47.94 -53.01 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.469 ' HG2' HG22 ' A' ' 51' ' ' THR . 0.0 OUTLIER -47.83 -44.89 29.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.17 -32.55 64.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.094 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.586 ' CD1' ' CG ' ' A' ' 26' ' ' PHE . 59.3 mt -63.17 -23.2 67.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 121.03 -23.69 7.65 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.499 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.777 HG21 HD12 ' A' ' 59' ' ' ILE . 2.7 mp -74.87 103.72 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 111.153 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.469 HG22 ' HG2' ' A' ' 46' ' ' ARG . 48.4 p -119.85 -23.87 6.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.487 HD22 ' CE1' ' A' ' 55' ' ' HIS . 5.2 mp -50.02 116.02 1.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 17.9 mmt -44.39 -53.0 7.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.413 ' O ' ' CG ' ' A' ' 58' ' ' LYS . . . -52.12 -26.1 19.45 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.482 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.487 ' CE1' HD22 ' A' ' 52' ' ' LEU . 37.5 m170 -97.69 -64.93 1.0 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.736 0.303 . . . . 0.0 110.863 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.449 ' CD ' ' HA ' ' A' ' 51' ' ' THR . 17.2 mt-30 -39.25 -45.26 1.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -56.26 -39.68 73.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.517 ' N ' ' HD2' ' A' ' 58' ' ' LYS . 4.2 mmmm -69.32 -62.29 1.44 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.777 HD12 HG21 ' A' ' 50' ' ' ILE . 87.0 mt -48.02 -54.95 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.422 HD11 ' HA ' ' A' ' 42' ' ' ALA . 13.2 mt -62.81 -56.66 15.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.35 -22.63 51.54 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.499 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.496 ' HB2' HG21 ' A' ' 17' ' ' ILE . 29.2 t -82.4 -24.37 34.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.804 0.335 . . . . 0.0 110.819 -179.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.505 HG23 ' HA ' ' A' ' 38' ' ' LEU . 96.0 mt -84.24 -55.42 7.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.142 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -39.55 -39.52 0.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.6 t -78.4 -32.33 48.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.514 ' SD ' HD12 ' A' ' 34' ' ' LEU . 23.5 mtm . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.546 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.5 pp . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.928 0.394 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 11' ' ' GLY . 11.6 t -107.02 148.17 29.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.676 HG12 HD12 ' A' ' 14' ' ' LEU . 46.2 t -39.37 -25.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -76.86 -49.34 7.82 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.471 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.456 ' H ' HG23 ' A' ' 9' ' ' THR . 1.0 OUTLIER -50.66 -59.8 3.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.806 0.336 . . . . 0.0 110.849 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.58 ' CZ3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -55.47 -63.94 1.0 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.676 HD12 HG12 ' A' ' 10' ' ' VAL . 45.9 mt -44.58 -45.95 9.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -50.39 -45.26 55.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 53.5 m -51.21 -47.87 62.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.836 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.575 HD12 ' HG3' ' A' ' 19' ' ' MET . 26.3 pt -84.37 12.5 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.5 mtm180 61.54 33.77 18.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.575 ' HG3' HD12 ' A' ' 17' ' ' ILE . 31.2 mmt -119.66 2.17 11.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -51.94 -20.62 6.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.1 ptp85 -62.31 -24.81 67.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.348 . . . . 0.0 110.874 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.599 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 32.6 m-85 -89.49 -10.54 45.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.95 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.461 ' CD ' ' HB ' ' A' ' 10' ' ' VAL . 8.9 tpt180 -42.47 -55.98 3.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.852 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -42.93 -32.9 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.599 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 11.9 m-70 -66.38 -59.45 3.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.805 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.625 ' CG ' ' CD1' ' A' ' 48' ' ' LEU . 25.8 m-85 -47.25 -44.06 22.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.55 -29.73 59.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.79 -39.23 24.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.4 0.2 34.53 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.526 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.07 18.66 36.11 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.454 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.594 ' CD1' ' SD ' ' A' ' 40' ' ' MET . 78.7 m-85 -120.52 100.92 7.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.878 0.371 . . . . 0.0 110.875 -179.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.0 t -112.28 -13.19 13.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.6 m -119.11 167.23 12.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.492 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -78.51 -42.51 29.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.908 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -47.2 -44.11 19.62 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.516 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 8.0 ptp -77.75 -24.37 49.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.812 0.339 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.58 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 7.7 t -76.4 -30.43 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.118 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 mp -66.64 -20.97 66.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -99.62 15.4 26.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.594 ' SD ' ' CD1' ' A' ' 31' ' ' TYR . 27.2 mtp -96.7 171.05 8.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.456 ' O ' ' C ' ' A' ' 42' ' ' ALA . 58.8 m-80 -157.0 165.24 36.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.503 ' N ' HD21 ' A' ' 60' ' ' LEU . . . -33.27 -44.92 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -52.32 -52.12 54.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 41' ' ' ASN . 32.5 m-20 -72.23 -51.68 19.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.1 t -48.56 -55.55 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -43.55 -47.27 7.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.11 -34.21 55.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.147 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.625 ' CD1' ' CG ' ' A' ' 26' ' ' PHE . 19.3 mt -62.7 -27.5 69.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 123.88 -29.09 5.25 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.532 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.742 ' H ' HD12 ' A' ' 50' ' ' ILE . 2.1 mp -68.2 99.96 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.869 0.366 . . . . 0.0 111.107 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.442 ' HA ' ' CD ' ' A' ' 56' ' ' GLN . 47.9 p -116.7 -27.45 6.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.178 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.3 mt -50.1 112.3 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.434 ' HA ' ' CE ' ' A' ' 53' ' ' MET . 25.1 mmt -42.66 -44.47 4.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -52.49 -35.47 44.7 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.499 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.502 ' O ' ' N ' ' A' ' 58' ' ' LYS . 17.8 m170 -95.79 -60.08 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.748 0.309 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.489 ' CG ' ' O ' ' A' ' 50' ' ' ILE . 11.1 mt-30 -36.71 -39.76 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -62.8 -43.53 98.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.2 OUTLIER -59.87 -67.71 0.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.832 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.555 HD12 HG21 ' A' ' 50' ' ' ILE . 73.2 mt -45.5 -62.58 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.503 HD21 ' N ' ' A' ' 42' ' ' ALA . 16.6 mt -54.56 -56.98 13.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -50.82 -35.31 31.13 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.403 ' O ' ' SD ' ' A' ' 66' ' ' MET . 4.6 t -78.84 -31.13 45.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 0.0 110.85 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 85.6 mt -75.71 -58.19 4.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.147 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.424 ' HG3' ' N ' ' A' ' 65' ' ' THR . 1.6 pp0? -39.82 -39.36 0.79 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.457 HG23 ' N ' ' A' ' 66' ' ' MET . 9.4 t -84.42 -42.98 15.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.457 ' N ' HG23 ' A' ' 65' ' ' THR . 11.0 mtp . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.578 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.4 pp . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.952 0.406 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 11' ' ' GLY . 5.8 t -106.55 147.36 29.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.174 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.768 HG12 HD12 ' A' ' 14' ' ' LEU . 69.5 t -36.75 -28.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -72.42 -53.62 8.56 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.502 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.465 ' H ' HG23 ' A' ' 9' ' ' THR . 3.2 m-20 -46.5 -62.91 1.16 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.845 0.355 . . . . 0.0 110.853 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.576 ' CZ3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -52.84 -63.4 1.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.768 HD12 HG12 ' A' ' 10' ' ' VAL . 58.7 mt -46.67 -35.61 6.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -60.64 -37.82 82.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.835 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 t -56.35 -40.71 74.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.484 HD12 ' CG ' ' A' ' 19' ' ' MET . 16.6 pt -92.57 15.17 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.155 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 57.56 31.07 19.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.484 ' CG ' HD12 ' A' ' 17' ' ' ILE . 34.6 mmm -115.43 3.11 14.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.14 -19.67 2.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -58.95 -25.83 63.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.844 0.355 . . . . 0.0 110.914 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.595 ' CD1' HG13 ' A' ' 50' ' ' ILE . 31.4 m-85 -92.69 -9.07 42.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.0 ptt-85 -46.45 -41.46 13.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -59.33 -30.89 68.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.591 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 9.6 m-70 -66.67 -55.75 13.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.721 ' HA ' HD13 ' A' ' 48' ' ' LEU . 21.4 m-85 -45.23 -45.12 11.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.26 -31.66 61.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.04 -39.55 63.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.079 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.12 -0.58 61.31 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.26 15.43 44.44 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.462 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.563 ' CD1' ' SD ' ' A' ' 40' ' ' MET . 88.9 m-85 -116.46 107.58 14.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.827 0.346 . . . . 0.0 110.935 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.443 ' C ' HG23 ' A' ' 10' ' ' VAL . 37.1 t -119.84 -12.1 9.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.451 ' O ' HG23 ' A' ' 37' ' ' VAL . 16.5 m -118.29 164.54 15.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.496 ' CG ' HD11 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -76.91 -42.26 40.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -47.32 -44.63 21.09 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.506 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.4 ' SD ' ' HA ' ' A' ' 31' ' ' TYR . 17.5 ptp -78.96 -24.31 43.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.828 0.347 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.576 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 7.5 t -76.01 -29.15 19.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.426 HD11 ' HB3' ' A' ' 66' ' ' MET . 1.9 mp -67.83 -23.14 65.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -97.23 13.01 30.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.563 ' SD ' ' CD1' ' A' ' 31' ' ' TYR . 27.4 mtp -95.25 -178.98 4.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.487 ' O ' ' N ' ' A' ' 44' ' ' ASP . 0.7 OUTLIER -168.73 164.18 12.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.894 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.52 ' HB2' ' CD2' ' A' ' 60' ' ' LEU . . . -33.25 -41.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.054 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 16.0 tp60 -56.89 -47.98 79.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 41' ' ' ASN . 41.3 m-20 -78.96 -42.99 25.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.506 HG11 HD11 ' A' ' 60' ' ' LEU . 88.4 t -55.33 -52.68 43.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.654 ' HG2' HG22 ' A' ' 51' ' ' THR . 3.3 tmm_? -44.19 -45.76 8.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.72 -34.56 53.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.721 HD13 ' HA ' ' A' ' 26' ' ' PHE . 14.3 mt -64.84 -29.7 70.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 126.35 -28.86 4.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.473 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.818 HG21 HD12 ' A' ' 59' ' ' ILE . 2.8 mp -66.18 100.0 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.884 0.373 . . . . 0.0 111.16 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.654 HG22 ' HG2' ' A' ' 46' ' ' ARG . 70.9 p -120.04 -25.65 5.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.143 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 55' ' ' HIS . 3.1 mm? -45.57 102.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.476 ' C ' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -32.02 -41.32 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . -64.89 -46.25 90.01 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.449 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.5 ' N ' ' O ' ' A' ' 52' ' ' LEU . 11.3 m170 -74.4 -57.52 3.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.762 0.315 . . . . 0.0 110.885 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.508 ' NE2' ' HA ' ' A' ' 51' ' ' THR . 18.9 mt-30 -41.33 -44.15 2.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.959 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.4 mttm -56.92 -45.45 82.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.4 ' HD2' ' O ' ' A' ' 54' ' ' GLY . 0.1 OUTLIER -59.37 -62.93 1.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.86 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.818 HD12 HG21 ' A' ' 50' ' ' ILE . 67.3 mt -53.71 -66.92 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.128 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.52 ' CD2' ' HB2' ' A' ' 42' ' ' ALA . 8.1 mp -47.78 -54.29 12.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.1 -33.47 79.72 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.519 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.605 ' O ' HG22 ' A' ' 65' ' ' THR . 11.0 t -71.5 -32.72 68.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 110.886 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 95.0 mt -73.69 -50.8 27.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.174 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.44 ' HG2' ' N ' ' A' ' 65' ' ' THR . 3.5 pt20 -45.37 -36.7 4.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.605 HG22 ' O ' ' A' ' 62' ' ' SER . 14.8 t -81.98 -26.79 33.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.574 ' HE1' ' CD2' ' A' ' 13' ' ' TRP . 34.7 mtm . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.567 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.5 pp . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.882 0.373 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.504 ' O ' ' N ' ' A' ' 11' ' ' GLY . 9.0 t -105.44 146.61 29.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.71 HG12 HD12 ' A' ' 14' ' ' LEU . 27.6 t -37.95 -26.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -75.47 -49.95 8.71 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.508 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.487 ' H ' HG23 ' A' ' 9' ' ' THR . 0.8 OUTLIER -50.43 -57.48 7.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.749 0.309 . . . . 0.0 110.857 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.707 ' CZ3' HG11 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -58.33 -60.54 3.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.937 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.71 HD12 HG12 ' A' ' 10' ' ' VAL . 30.7 mt -47.04 -40.52 14.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -52.93 -40.24 63.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.6 t -51.48 -44.03 62.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.531 HD12 ' HB3' ' A' ' 58' ' ' LYS . 30.9 pt -96.0 14.53 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.07 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.8 mmt85 57.83 39.7 26.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.436 ' CG ' HG13 ' A' ' 17' ' ' ILE . 31.2 mmt -118.51 -0.82 11.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.469 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -50.52 -17.88 2.2 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.482 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.545 ' NH1' ' CE1' ' A' ' 22' ' ' TYR . 8.4 ptm180 -61.4 -25.56 67.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.838 0.351 . . . . 0.0 110.918 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.786 ' CE2' HG23 ' A' ' 50' ' ' ILE . 16.4 m-85 -90.54 -13.07 35.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.944 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.455 ' C ' ' O ' ' A' ' 22' ' ' TYR . 17.9 ttt180 -33.7 -65.64 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 23' ' ' ARG . 0.5 OUTLIER -36.35 -41.78 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.574 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 16.9 m-70 -56.71 -58.85 6.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.819 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.662 ' CG ' HD13 ' A' ' 48' ' ' LEU . 37.2 m-85 -43.83 -50.06 8.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.93 -31.34 39.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.9 -38.29 37.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.464 ' HA3' ' CD2' ' A' ' 48' ' ' LEU . . . -74.15 2.87 41.73 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.539 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.83 18.69 33.83 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.504 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.707 ' CE2' ' CG ' ' A' ' 40' ' ' MET . 62.0 m-85 -121.22 100.17 6.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.892 0.377 . . . . 0.0 110.942 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.9 t -111.32 11.34 21.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.825 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.611 ' O ' HG23 ' A' ' 37' ' ' VAL . 11.1 m -155.01 173.14 17.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.598 ' O ' HD23 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -79.63 -37.94 34.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -39.53 -35.57 0.56 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.66 -36.16 12.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.707 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 77.7 t -58.7 -37.81 67.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.598 HD23 ' O ' ' A' ' 34' ' ' LEU . 4.3 mm? -59.38 -22.33 61.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.7 ptp85 -108.55 19.95 19.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.707 ' CG ' ' CE2' ' A' ' 31' ' ' TYR . 23.2 mtp -95.28 160.7 14.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.479 ' O ' ' N ' ' A' ' 44' ' ' ASP . 22.1 m-80 -151.17 171.64 17.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.864 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.716 ' HA ' HD11 ' A' ' 60' ' ' LEU . . . -35.25 -49.95 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.056 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -53.55 -42.93 68.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 41' ' ' ASN . 20.5 m-20 -77.15 -54.39 6.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.555 HG21 ' CD2' ' A' ' 60' ' ' LEU . 94.2 t -50.07 -53.69 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.168 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -47.6 -46.01 27.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.67 -36.15 61.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.155 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.662 HD13 ' CG ' ' A' ' 26' ' ' PHE . 20.4 mt -64.34 -27.74 69.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.411 ' O ' HG23 ' A' ' 51' ' ' THR . . . 129.03 -31.41 3.49 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.478 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.786 HG23 ' CE2' ' A' ' 22' ' ' TYR . 2.2 mp -64.46 104.08 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.912 0.387 . . . . 0.0 111.152 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.465 ' HA ' ' CD ' ' A' ' 56' ' ' GLN . 43.2 p -119.89 -29.7 4.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 53' ' ' MET . 4.9 mp -49.91 108.11 0.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.403 ' C ' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -37.81 -56.23 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -42.82 -38.51 3.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.53 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 58' ' ' LYS . 11.6 m170 -92.35 -59.31 2.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.748 0.309 . . . . 0.0 110.855 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.465 ' CD ' ' HA ' ' A' ' 51' ' ' THR . 10.5 mt-30 -36.42 -41.24 0.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.2 mmtm -62.06 -44.06 97.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.531 ' HB3' HD12 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -58.08 -67.04 0.38 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.885 179.88 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.662 HD12 HG21 ' A' ' 50' ' ' ILE . 89.5 mt -49.06 -65.68 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.174 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.716 HD11 ' HA ' ' A' ' 42' ' ' ALA . 58.3 mt -51.24 -59.0 4.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -56.29 -26.36 50.42 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.476 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.6 t -79.0 -26.95 43.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.911 0.386 . . . . 0.0 110.927 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 89.3 mt -81.46 -55.39 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.164 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -43.04 -36.23 1.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.3 t -84.05 -30.12 26.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.118 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.482 ' HB3' HD11 ' A' ' 38' ' ' LEU . 5.6 mtm . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.876 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.54 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.5 pp . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.914 0.387 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 11' ' ' GLY . 8.8 t -107.04 150.6 26.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.142 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.73 HG12 HD12 ' A' ' 14' ' ' LEU . 55.1 t -40.73 -24.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -77.97 -50.37 6.43 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.471 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.462 ' H ' HG23 ' A' ' 9' ' ' THR . 5.7 m-20 -49.92 -57.05 8.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.815 0.34 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.623 ' CZ3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -58.56 -64.02 1.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.73 HD12 HG12 ' A' ' 10' ' ' VAL . 51.5 mt -44.68 -42.57 7.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.938 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -52.3 -38.32 58.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.892 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.7 t -53.12 -44.84 68.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.57 HD12 ' HB3' ' A' ' 58' ' ' LYS . 11.7 pt -93.87 6.96 6.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.453 ' C ' ' SD ' ' A' ' 19' ' ' MET . 16.0 mtp-105 67.42 32.45 5.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.453 ' SD ' ' C ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -110.25 -2.32 16.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.48 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -50.12 -23.75 6.03 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -57.01 -23.0 43.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.817 0.341 . . . . 0.0 110.851 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.547 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 35.0 m-85 -95.22 -11.54 27.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 22' ' ' TYR . 14.0 ttt180 -36.35 -61.64 0.5 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.552 ' OD1' ' CD2' ' A' ' 25' ' ' HIS . 3.3 p30 -38.62 -39.94 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.552 ' CD2' ' OD1' ' A' ' 24' ' ' ASP . 16.5 m-70 -59.12 -59.92 4.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.576 ' CG ' ' CD1' ' A' ' 48' ' ' LEU . 25.7 m-85 -43.56 -47.72 7.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.72 -33.85 56.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.076 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.99 -39.11 56.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.083 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.04 4.7 22.57 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.488 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.04 19.55 36.07 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.47 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.7 ' CE2' ' CG ' ' A' ' 40' ' ' MET . 86.8 m-85 -121.7 106.2 11.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.856 0.36 . . . . 0.0 110.915 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 97.1 p -114.87 -14.0 11.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.41 ' O ' HG23 ' A' ' 37' ' ' VAL . 3.0 m -127.39 171.34 11.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.491 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.4 OUTLIER -77.91 -37.31 48.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.949 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -41.82 -46.15 4.87 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.463 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.17 -40.37 27.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 0.0 110.884 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.623 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 30.6 t -54.23 -44.35 64.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.168 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.454 ' CD2' ' HB3' ' A' ' 66' ' ' MET . 33.5 mt -58.54 -15.65 12.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.7 mtt180 -107.75 19.73 19.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.7 ' CG ' ' CE2' ' A' ' 31' ' ' TYR . 28.1 mtp -100.56 174.11 6.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.469 ' O ' ' N ' ' A' ' 44' ' ' ASP . 69.1 m-80 -161.95 168.38 22.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.459 ' C ' ' O ' ' A' ' 41' ' ' ASN . . . -32.9 -44.59 0.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -56.66 -49.36 75.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 41' ' ' ASN . 64.7 m-20 -73.54 -48.81 30.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.585 HG11 ' CD1' ' A' ' 60' ' ' LEU . 96.7 t -52.41 -56.06 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -46.55 -45.33 18.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.18 -38.06 56.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.133 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.576 ' CD1' ' CG ' ' A' ' 26' ' ' PHE . 26.5 mt -63.47 -24.76 67.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.499 ' O ' HG23 ' A' ' 51' ' ' THR . . . 121.61 -30.43 5.35 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.516 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.905 HG21 HD12 ' A' ' 59' ' ' ILE . 3.3 mp -63.46 100.06 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.91 0.386 . . . . 0.0 111.12 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.499 HG23 ' O ' ' A' ' 49' ' ' GLY . 29.0 p -119.97 -20.71 7.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.464 HD22 ' H ' ' A' ' 52' ' ' LEU . 3.7 mm? -50.01 113.57 0.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -43.29 -43.48 4.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.41 ' O ' ' HD2' ' A' ' 58' ' ' LYS . . . -62.93 -30.53 77.61 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.517 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 56' ' ' GLN . 14.8 m170 -91.83 -63.71 1.21 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.738 0.304 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.49 ' NE2' ' HA ' ' A' ' 51' ' ' THR . 17.1 mt-30 -36.27 -47.17 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -53.72 -48.17 69.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.57 ' HB3' HD12 ' A' ' 17' ' ' ILE . 0.3 OUTLIER -58.19 -64.91 0.75 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.89 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.905 HD12 HG21 ' A' ' 50' ' ' ILE . 80.1 mt -50.54 -61.99 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.165 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.585 ' CD1' HG11 ' A' ' 45' ' ' VAL . 10.7 mp -52.42 -58.49 6.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.27 -29.11 59.71 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.2 t -76.04 -28.3 57.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.359 . . . . 0.0 110.871 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 66' ' ' MET . 91.3 mt -83.41 -54.66 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.147 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -40.75 -39.38 1.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.8 t -81.14 -31.57 34.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.454 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 11.0 mtm . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.575 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.4 pp . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.915 0.388 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 11' ' ' GLY . 9.6 t -107.95 147.28 31.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.66 HG12 HD12 ' A' ' 14' ' ' LEU . 42.5 t -38.09 -27.77 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.098 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -74.59 -47.27 16.13 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.434 ' H ' HG23 ' A' ' 9' ' ' THR . 3.2 m-20 -52.58 -63.51 1.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.766 0.317 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.578 ' CZ3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -51.91 -61.83 2.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.66 HD12 HG12 ' A' ' 10' ' ' VAL . 48.3 mt -46.56 -48.51 19.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.939 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -50.07 -41.51 48.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.8 t -52.16 -48.85 64.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.602 HD12 ' HB3' ' A' ' 58' ' ' LYS . 37.9 pt -87.16 17.06 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.162 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 70.2 mtt180 59.74 35.63 22.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.846 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 32.1 mmt -119.62 -1.39 10.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -51.03 -21.09 5.02 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -61.8 -27.5 68.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.8 0.333 . . . . 0.0 110.886 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.586 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 30.6 m-85 -86.69 -10.28 54.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.961 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.488 ' CD ' HG12 ' A' ' 10' ' ' VAL . 8.1 tpt180 -39.04 -59.81 0.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.863 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -40.02 -36.55 0.49 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.586 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 13.5 m-70 -62.64 -59.32 5.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.625 ' CG ' ' CD1' ' A' ' 48' ' ' LEU . 26.4 m-85 -46.69 -46.76 20.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.51 -34.51 67.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.116 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.82 -33.69 66.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.087 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.88 -0.96 83.5 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.493 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.26 14.47 41.69 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.426 ' CD1' ' SD ' ' A' ' 40' ' ' MET . 93.0 m-85 -114.73 110.14 19.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.863 0.363 . . . . 0.0 110.948 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.0 t -119.36 -14.23 9.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.836 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.431 ' O ' HG23 ' A' ' 37' ' ' VAL . 9.5 m -119.08 167.17 12.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.501 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -78.54 -42.97 27.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.946 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -46.26 -45.62 15.88 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.518 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.411 ' SD ' ' HA ' ' A' ' 31' ' ' TYR . 20.0 ptp -77.26 -23.84 51.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.358 . . . . 0.0 110.87 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.578 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 5.9 t -75.92 -31.23 21.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.085 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.8 mp -66.38 -27.9 68.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.0 ptt180 -91.63 17.14 9.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.462 ' HE3' ' CB ' ' A' ' 44' ' ' ASP . 36.6 mtp -93.56 172.55 8.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' ' 44' ' ' ASP . 37.7 m-80 -154.32 166.28 33.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.509 ' HA ' HD11 ' A' ' 60' ' ' LEU . . . -37.16 -38.97 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.066 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -61.49 -46.14 91.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.462 ' CB ' ' HE3' ' A' ' 40' ' ' MET . 2.4 m-20 -72.41 -57.85 3.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.409 ' CG2' ' HE2' ' A' ' 40' ' ' MET . 42.4 t -51.0 -52.37 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.884 ' HD2' HG22 ' A' ' 51' ' ' THR . 14.1 tpt180 -48.56 -40.88 28.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.848 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.99 -33.7 72.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.625 ' CD1' ' CG ' ' A' ' 26' ' ' PHE . 39.3 mt -62.21 -22.43 65.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.589 ' O ' HG23 ' A' ' 51' ' ' THR . . . 122.61 -31.0 4.96 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.531 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.759 ' H ' HD12 ' A' ' 50' ' ' ILE . 2.5 mp -67.13 101.07 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.917 0.389 . . . . 0.0 111.135 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.884 HG22 ' HD2' ' A' ' 46' ' ' ARG . 1.6 p -118.15 -28.51 5.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.169 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.7 mp -50.5 113.64 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 27.6 mmt -42.95 -49.91 5.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.404 ' O ' ' HD2' ' A' ' 58' ' ' LYS . . . -48.89 -32.8 11.99 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.54 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.489 ' O ' ' N ' ' A' ' 58' ' ' LYS . 14.5 m170 -97.53 -61.17 1.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.787 0.327 . . . . 0.0 110.872 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.449 ' CD ' ' HA ' ' A' ' 51' ' ' THR . 11.9 mt-30 -36.25 -34.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 55' ' ' HIS . 72.5 mttt -67.34 -45.65 75.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.602 ' HB3' HD12 ' A' ' 17' ' ' ILE . 0.5 OUTLIER -58.29 -64.78 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.916 179.845 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.659 HD12 HG21 ' A' ' 50' ' ' ILE . 84.2 mt -47.75 -69.14 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.509 HD11 ' HA ' ' A' ' 42' ' ' ALA . 11.5 mt -54.44 -58.99 5.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -49.68 -31.8 16.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.645 ' O ' HG22 ' A' ' 65' ' ' THR . 10.4 t -79.73 -29.99 40.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 0.0 110.863 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' A' ' 66' ' ' MET . 96.2 mt -73.92 -54.47 14.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -41.13 -33.49 0.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.645 HG22 ' O ' ' A' ' 62' ' ' SER . 15.4 t -86.71 -29.3 22.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.493 ' N ' ' O ' ' A' ' 63' ' ' ILE . 26.3 mtm . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.55 HD13 ' H ' ' A' ' 13' ' ' TRP . 4.7 pp . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.975 0.417 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.567 HG23 ' H ' ' A' ' 12' ' ' ASP . 15.1 t -103.97 148.09 26.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.724 HG22 HG21 ' A' ' 37' ' ' VAL . 24.5 t -41.17 -32.65 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.45 -49.95 35.05 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.535 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.567 ' H ' HG23 ' A' ' 9' ' ' THR . 3.1 m-20 -50.22 -62.82 1.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.706 ' CZ3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -51.33 -62.43 1.62 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.627 HD12 HG12 ' A' ' 10' ' ' VAL . 47.6 mt -46.41 -45.59 18.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.874 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -47.56 -43.76 25.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.833 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.9 t -50.92 -44.36 60.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.604 HD13 ' CB ' ' A' ' 62' ' ' SER . 29.5 pt -93.95 16.39 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 70.1 mtm180 58.77 34.02 23.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.449 ' CG ' HG13 ' A' ' 17' ' ' ILE . 30.6 mmt -114.01 -1.99 13.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.474 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -48.95 -24.96 4.8 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.434 ' NH1' ' HB3' ' A' ' 21' ' ' ARG . 2.9 ptp180 -58.07 -31.27 66.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.779 0.324 . . . . 0.0 110.853 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.558 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 37.0 m-85 -87.09 -9.98 54.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -45.92 -42.72 13.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.842 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -55.15 -32.34 62.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.558 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 10.5 m-70 -66.65 -56.12 12.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.827 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.568 ' CD1' HD13 ' A' ' 48' ' ' LEU . 27.8 m-85 -45.01 -44.83 10.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.865 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.76 -32.17 63.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.068 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.83 -35.4 60.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.122 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.36 3.45 62.68 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.507 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.33 22.27 27.45 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.501 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.623 ' CE2' ' CG ' ' A' ' 40' ' ' MET . 95.8 m-85 -121.09 103.78 9.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.871 0.367 . . . . 0.0 110.865 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.8 t -109.74 -12.86 14.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.484 ' O ' HG23 ' A' ' 37' ' ' VAL . 5.8 m -131.47 172.94 11.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.553 ' O ' HD23 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -77.6 -36.54 51.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -40.93 -40.1 2.17 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.463 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.495 ' HB2' ' CD2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -87.64 -29.91 20.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.78 0.324 . . . . 0.0 110.886 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.724 HG21 HG22 ' A' ' 10' ' ' VAL . 53.8 t -66.17 -36.57 77.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.586 HD11 ' HB3' ' A' ' 66' ' ' MET . 4.5 mm? -64.19 -24.01 67.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -102.11 20.04 17.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.623 ' CG ' ' CE2' ' A' ' 31' ' ' TYR . 63.8 mtp -98.93 174.02 6.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.88 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 42' ' ' ALA . 70.4 m-80 -157.99 167.28 30.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 41' ' ' ASN . . . -37.46 -37.39 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.093 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -59.9 -49.59 77.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -72.86 -49.41 30.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.561 HG21 ' CD2' ' A' ' 60' ' ' LEU . 57.9 t -55.46 -54.12 28.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.932 ' HD2' HG22 ' A' ' 51' ' ' THR . 14.0 tpt180 -48.35 -39.05 20.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.46 -35.08 78.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.568 HD13 ' CD1' ' A' ' 26' ' ' PHE . 69.6 mt -60.43 -25.33 65.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.482 ' O ' HG23 ' A' ' 51' ' ' THR . . . 125.8 -29.32 4.71 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.753 ' H ' HD12 ' A' ' 50' ' ' ILE . 2.4 mp -65.75 101.1 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.901 0.381 . . . . 0.0 111.128 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.932 HG22 ' HD2' ' A' ' 46' ' ' ARG . 23.3 p -115.93 -26.97 7.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.167 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.5 mt -50.1 110.73 0.42 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 10.9 mmt -41.15 -48.67 3.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.498 ' O ' ' CD ' ' A' ' 58' ' ' LYS . . . -49.81 -38.57 30.38 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.509 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.498 ' O ' ' N ' ' A' ' 57' ' ' LYS . 10.6 m170 -91.24 -59.64 2.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.763 0.316 . . . . 0.0 110.868 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.505 ' CG ' ' O ' ' A' ' 50' ' ' ILE . 12.0 mt-30 -37.82 -27.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 55' ' ' HIS . 27.5 mttp -77.02 -45.25 27.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.498 ' CD ' ' O ' ' A' ' 54' ' ' GLY . 0.5 OUTLIER -60.15 -61.78 2.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.896 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.734 HD12 HG21 ' A' ' 50' ' ' ILE . 96.3 mt -47.0 -62.61 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.119 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.561 ' CD2' HG21 ' A' ' 45' ' ' VAL . 4.6 mm? -57.66 -58.18 9.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.939 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.38 -26.97 31.65 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.497 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.604 ' CB ' HD13 ' A' ' 17' ' ' ILE . 22.9 t -80.9 -25.21 37.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.803 0.335 . . . . 0.0 110.853 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 85.2 mt -83.82 -50.59 15.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -47.62 -37.47 12.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.9 t -79.99 -31.48 39.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.17 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.586 ' HB3' HD11 ' A' ' 38' ' ' LEU . 18.3 mtm . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.582 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.4 pp . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.968 0.413 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 11' ' ' GLY . 10.1 t -107.79 148.01 30.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.201 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.796 HG12 HD12 ' A' ' 14' ' ' LEU . 70.6 t -37.33 -27.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.095 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -73.68 -53.87 7.03 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.517 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.447 ' H ' HG23 ' A' ' 9' ' ' THR . 5.0 m-20 -46.53 -62.7 1.25 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.784 0.326 . . . . 0.0 110.869 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.678 ' CZ3' HG11 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -52.85 -63.19 1.23 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.944 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.796 HD12 HG12 ' A' ' 10' ' ' VAL . 53.2 mt -46.27 -34.95 4.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -59.27 -36.05 74.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.0 m -58.22 -41.64 84.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.412 HD11 HD23 ' A' ' 14' ' ' LEU . 19.4 pt -92.36 16.62 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.111 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 55.66 35.01 24.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.812 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 43.5 mmm -119.41 1.61 11.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.12 -18.23 2.03 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.494 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -60.53 -27.33 67.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.845 0.355 . . . . 0.0 110.874 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.582 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 37.6 m-85 -91.41 -9.09 46.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.429 ' CG ' ' N ' ' A' ' 24' ' ' ASP . 21.6 ptt-85 -44.91 -44.94 10.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.821 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.429 ' N ' ' CG ' ' A' ' 23' ' ' ARG . 57.4 m-20 -54.51 -32.74 58.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.582 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 10.8 m-70 -65.5 -51.65 58.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.586 ' CD1' HD13 ' A' ' 48' ' ' LEU . 20.9 m-85 -46.96 -47.2 21.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.9 -28.18 61.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.081 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.99 -35.01 32.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.06 6.36 56.53 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.515 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.06 16.26 51.38 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.504 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.595 ' CD2' ' SD ' ' A' ' 40' ' ' MET . 78.9 m-85 -121.92 100.76 7.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.939 0.4 . . . . 0.0 110.911 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.2 t -114.9 9.68 16.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.898 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.627 ' O ' HG23 ' A' ' 37' ' ' VAL . 8.4 m -146.13 168.2 21.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.805 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.481 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -77.69 -45.21 25.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.951 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -42.88 -30.95 1.07 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.479 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.452 ' H ' ' HG2' ' A' ' 36' ' ' MET . 7.5 ptp -95.02 -20.5 19.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.329 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.678 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 38.0 t -77.07 -36.46 24.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.134 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.02 -20.5 62.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.5 ptt85 -105.13 16.17 26.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.595 ' SD ' ' CD2' ' A' ' 31' ' ' TYR . 26.3 mtp -94.77 166.36 12.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -154.66 173.55 16.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.526 ' N ' HD21 ' A' ' 60' ' ' LEU . . . -40.46 -45.09 2.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.081 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -51.86 -51.73 54.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -72.34 -52.96 13.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 87.8 t -47.98 -55.52 2.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -42.96 -46.28 5.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.15 -35.7 65.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.124 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.586 HD13 ' CD1' ' A' ' 26' ' ' PHE . 21.3 mt -58.89 -29.07 66.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 122.27 -22.67 7.43 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.76 ' H ' HD12 ' A' ' 50' ' ' ILE . 2.5 mp -72.67 103.21 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.952 0.406 . . . . 0.0 111.115 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.481 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 58.2 p -118.3 -22.14 7.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.137 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 53' ' ' MET . 4.6 mm? -50.06 108.39 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.443 ' C ' ' O ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -34.71 -48.77 0.39 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.477 ' O ' ' CD ' ' A' ' 58' ' ' LYS . . . -57.05 -51.79 55.23 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.516 ' CD2' ' N ' ' A' ' 55' ' ' HIS . 3.2 m170 -70.21 -57.87 4.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.769 0.318 . . . . 0.0 110.85 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.481 ' NE2' ' HA ' ' A' ' 51' ' ' THR . 13.2 mt-30 -42.43 -37.63 1.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.972 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -67.38 -41.96 84.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.477 ' CD ' ' O ' ' A' ' 54' ' ' GLY . 0.0 OUTLIER -59.52 -60.36 3.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.843 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.415 HD12 HG21 ' A' ' 50' ' ' ILE . 68.9 mt -55.46 -62.72 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.526 HD21 ' N ' ' A' ' 42' ' ' ALA . 30.4 mt -54.95 -59.92 4.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.928 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -48.97 -35.7 18.74 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.473 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.476 ' O ' ' CG2' ' A' ' 65' ' ' THR . 9.7 t -70.16 -39.02 75.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.36 . . . . 0.0 110.882 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 88.2 mt -72.03 -57.75 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -39.9 -31.57 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.476 ' CG2' ' O ' ' A' ' 62' ' ' SER . 7.8 t -90.67 -41.06 11.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 12.4 mtm . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.896 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.542 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.5 pp . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.939 0.399 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 11' ' ' GLY . 13.5 t -105.07 148.76 26.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.121 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.752 HG12 HD12 ' A' ' 14' ' ' LEU . 54.2 t -40.98 -23.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -78.18 -47.75 8.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.445 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.444 ' H ' HG23 ' A' ' 9' ' ' THR . 3.4 m-20 -52.72 -57.58 9.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.781 0.324 . . . . 0.0 110.839 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.557 ' CZ3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -57.12 -61.95 2.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.962 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.752 HD12 HG12 ' A' ' 10' ' ' VAL . 51.0 mt -47.1 -47.53 23.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -49.51 -42.83 44.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.0 t -51.6 -42.34 61.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.953 HG21 ' OG ' ' A' ' 62' ' ' SER . 37.3 pt -94.71 13.87 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.126 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 62.41 36.22 14.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.421 ' C ' ' HB3' ' A' ' 14' ' ' LEU . 31.2 mmt -119.84 -3.81 10.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.496 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -49.09 -26.19 5.99 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.48 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -56.15 -30.21 61.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.791 0.329 . . . . 0.0 110.863 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.587 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 39.6 m-85 -85.14 -11.75 54.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.1 ttt180 -38.9 -59.47 0.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -40.26 -37.0 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.587 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 14.5 m-70 -61.92 -60.06 4.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.575 ' CD2' HD11 ' A' ' 48' ' ' LEU . 30.8 m-85 -45.69 -45.13 14.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.1 -31.59 52.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.116 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.26 -41.36 41.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.078 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.2 0.64 15.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.531 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.12 17.83 36.02 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.472 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.632 ' CE1' ' CG ' ' A' ' 40' ' ' MET . 79.9 m-85 -119.18 111.12 17.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.893 0.378 . . . . 0.0 110.923 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 87.7 p -120.04 -9.86 9.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.44 ' O ' HG23 ' A' ' 37' ' ' VAL . 6.4 p -123.94 171.27 9.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.522 HD11 ' CB ' ' A' ' 13' ' ' TRP . 0.3 OUTLIER -81.63 -41.98 20.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -46.87 -46.04 19.2 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.516 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.405 ' SD ' ' HA ' ' A' ' 31' ' ' TYR . 12.9 ptp -77.5 -22.87 50.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 110.896 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.557 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 4.8 t -76.69 -34.09 22.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.534 ' HA ' HG23 ' A' ' 63' ' ' ILE . 2.2 mp -62.13 -25.63 67.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.4 mmm180 -88.0 -16.41 33.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.632 ' CG ' ' CE1' ' A' ' 31' ' ' TYR . 59.5 mtp -63.44 177.76 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.458 ' CG ' ' O ' ' A' ' 40' ' ' MET . 76.1 m-20 -164.31 167.99 19.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' ' 46' ' ' ARG . . . -38.14 -45.85 0.98 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -54.19 -43.82 71.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 41' ' ' ASN . 74.5 m-20 -78.02 -52.8 8.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.511 HG11 ' CD2' ' A' ' 60' ' ' LEU . 54.2 t -50.25 -52.93 13.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.105 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.462 ' HG2' HG22 ' A' ' 51' ' ' THR . 4.2 tmm_? -44.72 -45.94 10.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.21 -36.57 63.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.096 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.575 HD11 ' CD2' ' A' ' 26' ' ' PHE . 23.1 mt -58.59 -28.04 65.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 123.45 -25.17 6.34 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.78 ' H ' HD12 ' A' ' 50' ' ' ILE . 2.4 mp -70.73 100.82 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.922 0.391 . . . . 0.0 111.13 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.462 HG22 ' HG2' ' A' ' 46' ' ' ARG . 48.4 p -117.28 -26.29 6.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.4 mt -51.26 112.67 0.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -42.08 -47.95 4.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.403 ' O ' ' HD2' ' A' ' 58' ' ' LYS . . . -50.84 -34.87 30.46 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.494 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.421 ' O ' ' N ' ' A' ' 58' ' ' LYS . 24.6 m170 -94.82 -61.29 1.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.77 0.319 . . . . 0.0 110.851 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.499 ' CG ' ' O ' ' A' ' 50' ' ' ILE . 11.6 mt-30 -37.09 -39.36 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.435 ' HB3' ' NZ ' ' A' ' 58' ' ' LYS . 27.3 mttm -62.89 -48.59 78.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.471 ' HB3' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -56.9 -65.27 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.894 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.609 HD12 HG21 ' A' ' 50' ' ' ILE . 84.2 mt -46.95 -68.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.511 ' CD2' HG11 ' A' ' 45' ' ' VAL . 4.6 mm? -52.46 -58.37 6.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.891 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -50.21 -31.1 18.86 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.441 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.953 ' OG ' HG21 ' A' ' 17' ' ' ILE . 49.3 m -77.35 -32.36 55.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.863 0.363 . . . . 0.0 110.886 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.534 HG23 ' HA ' ' A' ' 38' ' ' LEU . 96.2 mt -73.73 -54.5 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.139 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -42.2 -33.2 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.512 HG22 ' O ' ' A' ' 62' ' ' SER . 8.8 t -87.56 -36.66 17.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.48 ' SD ' HD12 ' A' ' 34' ' ' LEU . 24.3 mtm . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.632 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.2 pp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.922 0.391 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.53 ' O ' ' N ' ' A' ' 11' ' ' GLY . 5.0 t -106.53 147.09 29.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.165 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.787 HG12 HD12 ' A' ' 14' ' ' LEU . 76.4 t -35.04 -29.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.125 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.53 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -71.81 -46.8 35.9 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.523 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.47 ' HB3' HD13 ' A' ' 8' ' ' LEU . 1.5 t70 -53.6 -65.29 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.775 0.321 . . . . 0.0 110.869 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.584 ' CE3' ' HG ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -49.58 -58.88 4.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.787 HD12 HG12 ' A' ' 10' ' ' VAL . 51.4 mt -49.79 -45.26 49.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -50.79 -41.74 57.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.823 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.7 t -51.13 -44.79 61.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.471 HD12 ' HB3' ' A' ' 58' ' ' LYS . 41.2 pt -93.47 15.27 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.152 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 59.86 36.65 21.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 31.5 mmt -118.46 -0.91 11.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.433 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -49.72 -23.96 5.46 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.524 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -57.21 -28.79 63.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.34 . . . . 0.0 110.884 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.592 ' CD1' HG13 ' A' ' 50' ' ' ILE . 35.9 m-85 -90.32 -9.32 48.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.478 ' CG ' ' N ' ' A' ' 24' ' ' ASP . 11.2 ptm180 -42.77 -48.73 5.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.478 ' N ' ' CG ' ' A' ' 23' ' ' ARG . 1.2 t70 -51.49 -35.14 38.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.582 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 12.4 m-70 -62.31 -57.77 10.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.614 ' CG ' HD13 ' A' ' 48' ' ' LEU . 25.7 m-85 -45.18 -47.38 12.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.889 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.41 -34.87 69.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.061 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.2 -34.38 72.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.31 6.82 66.41 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.447 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.77 18.01 42.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.447 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.593 ' CE1' ' SD ' ' A' ' 40' ' ' MET . 84.4 m-85 -122.55 107.44 12.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.902 0.382 . . . . 0.0 110.901 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.0 t -119.82 -12.61 9.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.806 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.465 ' O ' HG23 ' A' ' 37' ' ' VAL . 4.2 m -116.56 167.9 10.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.496 HD11 ' CB ' ' A' ' 13' ' ' TRP . 0.3 OUTLIER -79.38 -42.5 25.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.885 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -48.36 -43.49 26.99 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.475 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.1 ptp -79.44 -26.14 41.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.843 0.354 . . . . 0.0 110.905 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.56 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 3.4 t -70.98 -35.4 59.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.431 ' HA ' HG23 ' A' ' 63' ' ' ILE . 2.5 mp -59.68 -21.06 60.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.831 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.23 -17.56 28.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.593 ' SD ' ' CE1' ' A' ' 31' ' ' TYR . 13.0 mmm -56.34 176.29 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.462 ' O ' ' C ' ' A' ' 42' ' ' ALA . 0.8 OUTLIER -170.24 158.97 7.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.462 ' C ' ' O ' ' A' ' 41' ' ' ASN . . . -32.29 -48.65 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.073 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -56.08 -49.43 73.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.848 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 41' ' ' ASN . 54.4 m-20 -73.33 -56.5 4.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.414 ' N ' ' HE3' ' A' ' 40' ' ' MET . 58.4 t -43.32 -53.09 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -44.15 -46.19 8.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.47 -38.17 66.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.062 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.614 HD13 ' CG ' ' A' ' 26' ' ' PHE . 39.8 mt -58.59 -26.22 63.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 123.13 -26.79 6.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.477 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 1.013 HG21 HD12 ' A' ' 59' ' ' ILE . 2.9 mp -70.33 101.22 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.87 0.367 . . . . 0.0 111.094 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.493 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 36.4 p -119.07 -27.28 5.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.4 mt -50.68 116.29 1.87 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.463 ' HA ' ' CE ' ' A' ' 53' ' ' MET . 26.6 mmt -43.9 -48.38 8.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -52.82 -30.55 36.61 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.494 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.471 ' O ' ' N ' ' A' ' 58' ' ' LYS . 23.1 m170 -96.87 -63.24 1.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.721 0.296 . . . . 0.0 110.871 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.645 ' O ' HD13 ' A' ' 60' ' ' LEU . 14.5 mt-30 -36.78 -46.21 0.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.933 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -59.7 -42.9 94.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.471 ' HB3' HD12 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -65.28 -60.61 2.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.916 179.852 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 1.013 HD12 HG21 ' A' ' 50' ' ' ILE . 65.8 mt -51.09 -51.1 22.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.108 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.645 HD13 ' O ' ' A' ' 56' ' ' GLN . 11.0 mp -64.23 -57.36 9.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -54.92 -30.62 54.0 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.461 ' HB2' HG21 ' A' ' 17' ' ' ILE . 23.3 t -73.77 -29.0 61.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.352 . . . . 0.0 110.813 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.431 HG23 ' HA ' ' A' ' 38' ' ' LEU . 58.2 mt -81.13 -48.92 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.122 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.408 ' HG3' ' N ' ' A' ' 65' ' ' THR . 1.0 OUTLIER -45.05 -30.97 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.444 HG22 ' O ' ' A' ' 62' ' ' SER . 14.9 t -89.47 -27.0 20.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.467 ' SD ' ' CD1' ' A' ' 34' ' ' LEU . 28.1 mtm . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.572 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.5 pp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.899 0.381 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 11' ' ' GLY . 8.8 t -106.32 147.75 28.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.136 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.664 HG12 HD12 ' A' ' 14' ' ' LEU . 49.9 t -38.22 -27.13 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -74.09 -48.38 15.65 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.503 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.95 -63.92 0.98 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.837 0.351 . . . . 0.0 110.857 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.609 ' CD1' ' SD ' ' A' ' 66' ' ' MET . 0.0 OUTLIER -51.22 -61.72 2.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.664 HD12 HG12 ' A' ' 10' ' ' VAL . 44.2 mt -46.53 -47.42 19.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -51.4 -38.81 55.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.1 t -52.99 -44.98 67.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.598 HD12 ' HB3' ' A' ' 58' ' ' LYS . 28.5 pt -91.98 15.13 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.14 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 63.94 31.12 13.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.435 ' CG ' HG13 ' A' ' 17' ' ' ILE . 33.5 mmt -116.32 0.38 12.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.402 ' HA2' ' CB ' ' A' ' 14' ' ' LEU . . . -52.63 -14.33 2.43 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.462 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -68.06 -27.03 66.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.807 0.337 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.576 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 36.7 m-85 -90.65 -8.18 50.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.482 ' CG ' ' N ' ' A' ' 24' ' ' ASP . 6.3 ptp180 -43.03 -48.55 6.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.482 ' N ' ' CG ' ' A' ' 23' ' ' ARG . 0.9 OUTLIER -51.87 -34.23 39.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.576 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 12.2 m-70 -63.77 -53.84 44.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.619 ' CG ' ' CD1' ' A' ' 48' ' ' LEU . 30.8 m-85 -48.12 -49.57 31.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.59 -26.8 45.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.09 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.9 -33.61 34.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.149 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -83.51 11.52 55.54 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.22 14.93 58.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.519 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.67 ' CE2' ' CG ' ' A' ' 40' ' ' MET . 67.4 m-85 -122.31 100.16 6.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.849 0.357 . . . . 0.0 110.923 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.4 t -112.14 -12.38 13.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.848 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.575 ' O ' HG23 ' A' ' 37' ' ' VAL . 14.6 m -122.27 172.38 8.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.853 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.492 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.4 OUTLIER -79.13 -41.62 28.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.911 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -44.77 -43.9 8.35 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.507 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.9 ptp -81.67 -14.8 56.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.839 0.352 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.598 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 24.8 t -83.71 -35.97 11.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.465 ' CD2' ' O ' ' A' ' 34' ' ' LEU . 3.4 mm? -65.84 -17.87 64.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.18 3.87 33.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.67 ' CG ' ' CE2' ' A' ' 31' ' ' TYR . 45.2 mtp -78.37 -178.75 5.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.48 ' O ' ' N ' ' A' ' 44' ' ' ASP . 0.4 OUTLIER -166.75 163.52 16.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.432 ' HA ' HD11 ' A' ' 60' ' ' LEU . . . -35.53 -46.15 0.39 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.057 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.6 tp60 -54.41 -43.98 71.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 41' ' ' ASN . 75.7 m-20 -77.74 -51.25 10.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.3 t -51.83 -54.28 13.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.553 ' HG2' HG22 ' A' ' 51' ' ' THR . 4.9 tmm_? -46.18 -43.75 15.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.68 -32.7 63.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.619 ' CD1' ' CG ' ' A' ' 26' ' ' PHE . 24.5 mt -64.8 -24.51 67.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 121.08 -28.37 6.11 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.51 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.793 HG21 HD12 ' A' ' 59' ' ' ILE . 2.4 mp -67.6 100.14 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.888 0.375 . . . . 0.0 111.099 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.553 HG22 ' HG2' ' A' ' 46' ' ' ARG . 82.5 p -118.91 -23.94 6.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.158 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 55' ' ' HIS . 2.5 mt -49.97 108.18 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 38.4 mmt -40.22 -46.83 2.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.402 ' O ' ' HD2' ' A' ' 58' ' ' LYS . . . -53.92 -36.6 56.07 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.529 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.487 ' O ' ' N ' ' A' ' 58' ' ' LYS . 19.7 m170 -92.28 -59.07 2.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.725 0.298 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.48 ' NE2' ' HA ' ' A' ' 51' ' ' THR . 10.5 mt-30 -35.92 -41.61 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 43.3 mttt -58.86 -44.9 91.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.598 ' HB3' HD12 ' A' ' 17' ' ' ILE . 0.5 OUTLIER -58.84 -64.03 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.955 179.834 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.793 HD12 HG21 ' A' ' 50' ' ' ILE . 67.9 mt -52.04 -65.24 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.143 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.432 HD11 ' HA ' ' A' ' 42' ' ' ALA . 28.1 mt -55.47 -56.52 19.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.408 ' O ' ' HG3' ' A' ' 64' ' ' GLN . . . -47.69 -46.12 24.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.45 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.651 ' O ' HG22 ' A' ' 65' ' ' THR . 3.2 t -63.51 -49.58 72.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.818 0.342 . . . . 0.0 110.847 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.534 ' O ' ' N ' ' A' ' 66' ' ' MET . 96.6 mt -58.12 -60.08 2.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.132 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.468 ' HG3' ' N ' ' A' ' 65' ' ' THR . 0.6 OUTLIER -32.32 -37.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.651 HG22 ' O ' ' A' ' 62' ' ' SER . 9.8 t -98.58 -30.08 12.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.609 ' SD ' ' CD1' ' A' ' 13' ' ' TRP . 2.2 ttp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.611 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.4 pp . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.941 0.4 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 11' ' ' GLY . 9.8 t -106.95 146.58 30.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.179 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.845 HG12 HD12 ' A' ' 14' ' ' LEU . 69.2 t -35.91 -30.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.111 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -70.48 -52.19 17.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.424 ' H ' HG23 ' A' ' 9' ' ' THR . 7.4 m-20 -47.91 -65.29 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.815 0.341 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.796 ' CZ3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -51.5 -59.9 3.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.845 HD12 HG12 ' A' ' 10' ' ' VAL . 41.7 mt -49.51 -35.28 19.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -59.75 -39.71 85.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.1 t -55.29 -42.35 73.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.636 HG21 ' HB2' ' A' ' 62' ' ' SER . 19.4 pt -89.58 14.62 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.115 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.5 mmt85 57.65 30.12 18.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.466 ' HE2' ' HB3' ' A' ' 55' ' ' HIS . 26.4 mmm -115.04 4.02 14.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -51.34 -17.79 3.02 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.462 ' CZ ' ' HB2' ' A' ' 21' ' ' ARG . 2.4 ptm85 -62.48 -25.09 67.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.822 0.344 . . . . 0.0 110.863 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.598 ' CD1' HG13 ' A' ' 50' ' ' ILE . 29.1 m-85 -93.63 -10.15 35.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.481 ' CG ' ' N ' ' A' ' 24' ' ' ASP . 19.7 ptt-85 -42.53 -48.62 5.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.838 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.481 ' N ' ' CG ' ' A' ' 23' ' ' ARG . 8.2 p-10 -52.84 -34.5 54.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.595 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 11.6 m-70 -62.16 -56.38 19.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.653 ' CD1' ' CD1' ' A' ' 48' ' ' LEU . 16.0 m-85 -44.9 -47.11 11.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.825 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.13 -32.57 62.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.47 -36.29 60.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.59 7.02 51.11 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.517 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.47 20.34 38.28 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.521 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.576 ' CZ ' ' SD ' ' A' ' 40' ' ' MET . 86.2 m-85 -122.48 100.07 6.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.906 0.384 . . . . 0.0 110.868 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.0 m -115.45 8.47 15.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.74 ' O ' HG23 ' A' ' 37' ' ' VAL . 11.1 m -146.12 168.41 21.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.854 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.559 ' O ' HD23 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -78.18 -45.36 23.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -43.4 -31.41 1.54 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.429 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.413 ' O ' ' CG ' ' A' ' 39' ' ' ARG . 6.9 ptp -95.11 -24.2 16.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.843 0.354 . . . . 0.0 110.852 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.796 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 40.1 t -71.73 -40.34 69.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.154 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.559 HD23 ' O ' ' A' ' 34' ' ' LEU . 2.4 mm? -53.38 -24.82 13.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.413 ' CG ' ' O ' ' A' ' 36' ' ' MET . 3.7 ptp180 -96.23 19.94 11.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.585 ' HE2' ' CE2' ' A' ' 26' ' ' PHE . 21.8 mmm -86.63 169.56 12.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' A' ' 40' ' ' MET . 39.8 m-80 -162.45 162.5 27.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 41' ' ' ASN . . . -36.46 -42.65 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -59.83 -51.46 69.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -69.52 -55.0 11.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.5 t -48.72 -56.0 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.1 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.636 ' CD ' HG22 ' A' ' 51' ' ' THR . 22.5 tpt85 -48.42 -45.2 35.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.85 -36.17 62.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.065 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.653 ' CD1' ' CD1' ' A' ' 26' ' ' PHE . 24.4 mt -61.21 -22.32 64.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.953 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.657 ' O ' HG23 ' A' ' 51' ' ' THR . . . 122.42 -30.64 5.11 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.462 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.742 ' H ' HD12 ' A' ' 50' ' ' ILE . 2.2 mp -63.99 102.25 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.925 0.393 . . . . 0.0 111.114 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.657 HG23 ' O ' ' A' ' 49' ' ' GLY . 1.0 OUTLIER -117.57 -25.96 6.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.561 HD22 ' H ' ' A' ' 52' ' ' LEU . 3.4 mm? -50.04 109.86 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 31.8 mmt -40.12 -51.73 2.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.411 ' O ' ' HD3' ' A' ' 58' ' ' LYS . . . -52.24 -34.34 40.27 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.524 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.517 ' O ' ' N ' ' A' ' 58' ' ' LYS . 5.7 m170 -90.96 -61.81 1.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.76 0.314 . . . . 0.0 110.847 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.503 ' CG ' ' O ' ' A' ' 50' ' ' ILE . 16.4 mt-30 -36.46 -33.68 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 55' ' ' HIS . 7.8 mtpm? -69.26 -43.97 72.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.517 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -56.97 -63.62 1.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.893 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.679 HD12 HG21 ' A' ' 50' ' ' ILE . 61.7 mt -52.83 -62.8 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.101 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 51.9 mt -53.01 -60.49 3.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.45 -30.43 41.33 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.636 ' HB2' HG21 ' A' ' 17' ' ' ILE . 22.6 t -73.54 -30.22 62.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.814 0.34 . . . . 0.0 110.844 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 79.5 mt -81.4 -54.58 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.131 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -42.11 -42.06 2.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.7 t -78.8 -32.56 46.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 8.2 mtm . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.916 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.538 HD12 ' HB3' ' A' ' 12' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.957 0.408 . . . . 0.0 110.907 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.645 HG23 ' H ' ' A' ' 12' ' ' ASP . 8.8 t -93.6 150.69 20.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.712 HG12 HD12 ' A' ' 14' ' ' LEU . 70.4 t -43.88 -38.04 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.074 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.477 ' N ' ' HG3' ' A' ' 23' ' ' ARG . . . -65.77 -42.74 95.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.493 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.645 ' H ' HG23 ' A' ' 9' ' ' THR . 2.0 m-20 -58.34 -59.42 5.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.814 0.34 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.607 ' CE3' ' HG ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -54.73 -52.66 61.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.712 HD12 HG12 ' A' ' 10' ' ' VAL . 32.9 mt -55.28 -52.88 62.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -44.71 -43.19 8.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.8 t -51.28 -46.15 62.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.825 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.63 HG21 ' OG ' ' A' ' 62' ' ' SER . 42.0 pt -90.44 14.9 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.078 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 62.9 34.66 14.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.429 ' C ' ' HB3' ' A' ' 14' ' ' LEU . 30.3 mmt -119.96 -0.22 10.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.455 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -52.6 -17.34 4.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.9 ptp180 -66.28 -21.02 66.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.778 0.323 . . . . 0.0 110.871 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.596 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 44.1 m-85 -92.64 -12.64 31.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.477 ' HG3' ' N ' ' A' ' 11' ' ' GLY . 16.3 ttt-85 -34.52 -61.7 0.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -41.45 -40.71 1.85 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.596 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 16.2 m-70 -57.46 -60.96 2.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.599 ' CD2' HD11 ' A' ' 48' ' ' LEU . 29.5 m-85 -44.95 -50.1 10.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.29 -31.5 61.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.077 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.78 -35.9 57.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.099 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.21 5.46 59.45 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.491 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.62 20.07 35.71 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.467 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.643 ' CE2' ' CG ' ' A' ' 40' ' ' MET . 24.8 m-85 -122.02 106.49 11.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.906 0.384 . . . . 0.0 110.912 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 83.5 p -115.91 -11.32 11.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.852 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.44 173.47 10.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.517 ' HG ' ' CD2' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -74.34 -43.05 58.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -42.59 -50.85 5.71 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.518 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -31.06 64.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.836 0.35 . . . . 0.0 110.848 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.422 HG11 ' CH2' ' A' ' 13' ' ' TRP . 12.6 t -72.3 -26.1 24.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.472 HD13 ' O ' ' A' ' 34' ' ' LEU . 4.8 mp -74.81 -24.27 58.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.434 ' NH1' ' HB3' ' A' ' 39' ' ' ARG . 1.8 ptp180 -96.99 18.08 15.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.897 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.643 ' CG ' ' CE2' ' A' ' 31' ' ' TYR . 67.3 mtp -95.74 -179.79 4.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.495 ' O ' ' N ' ' A' ' 43' ' ' GLN . 0.6 OUTLIER -168.22 164.05 13.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.48 ' HA ' HD11 ' A' ' 60' ' ' LEU . . . -32.91 -34.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 41' ' ' ASN . 77.1 mm-40 -64.29 -53.58 46.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 41' ' ' ASN . 47.8 m-20 -69.31 -58.61 3.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.4 t -45.04 -53.12 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -47.21 -38.69 12.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.9 -35.76 81.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.599 HD11 ' CD2' ' A' ' 26' ' ' PHE . 37.6 mt -58.71 -24.58 61.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 121.36 -24.05 7.41 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.76 ' H ' HD12 ' A' ' 50' ' ' ILE . 2.0 mp -74.11 100.37 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.922 0.391 . . . . 0.0 111.157 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.45 ' HA ' ' CD ' ' A' ' 56' ' ' GLN . 1.1 p -116.23 -24.39 8.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 mp -50.65 109.9 0.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.437 ' O ' ' CG ' ' A' ' 57' ' ' LYS . 10.4 mmm -41.94 -45.04 3.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.11 -35.65 54.95 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.501 ' O ' ' N ' ' A' ' 58' ' ' LYS . 25.5 m170 -94.26 -59.54 1.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.777 0.323 . . . . 0.0 110.861 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.497 ' CG ' ' O ' ' A' ' 50' ' ' ILE . 11.1 mt-30 -36.33 -34.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 53' ' ' MET . 10.3 mmmt -67.84 -44.95 76.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.2 OUTLIER -58.91 -61.17 2.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 179.801 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.624 HD12 HG21 ' A' ' 50' ' ' ILE . 67.3 mt -51.3 -63.29 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.48 HD11 ' HA ' ' A' ' 42' ' ' ALA . 15.6 mt -55.12 -59.27 5.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -47.83 -40.35 18.81 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.446 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.63 ' OG ' HG21 ' A' ' 17' ' ' ILE . 19.9 m -71.71 -33.02 68.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.853 0.359 . . . . 0.0 110.838 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.48 ' O ' ' N ' ' A' ' 66' ' ' MET . 81.7 mt -72.62 -54.3 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.149 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.457 ' HG3' ' N ' ' A' ' 65' ' ' THR . 1.7 pp0? -42.24 -34.52 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.915 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.628 HG22 ' O ' ' A' ' 62' ' ' SER . 13.9 t -87.2 -25.66 23.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.113 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.601 ' SD ' ' CD1' ' A' ' 13' ' ' TRP . 12.4 mtp . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.541 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.5 pp . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.933 0.396 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 11' ' ' GLY . 13.6 t -105.04 148.51 26.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.793 HG12 HD12 ' A' ' 14' ' ' LEU . 75.6 t -40.4 -24.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.109 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -77.3 -48.4 8.24 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.546 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.432 ' H ' HG23 ' A' ' 9' ' ' THR . 6.6 m-20 -52.12 -57.66 8.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.8 0.333 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.624 ' CZ3' HG11 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -57.82 -61.14 2.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.793 HD12 HG12 ' A' ' 10' ' ' VAL . 39.4 mt -46.89 -44.88 20.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -49.3 -44.87 44.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.0 t -51.33 -45.6 62.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.481 HG21 ' OG ' ' A' ' 62' ' ' SER . 34.6 pt -89.54 12.55 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.9 mmp_? 59.99 36.69 21.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.477 ' HG3' ' CD1' ' A' ' 17' ' ' ILE . 31.3 mmt -118.94 -1.81 10.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.844 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.471 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -50.91 -19.55 3.58 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -61.42 -26.66 68.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.35 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.586 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 29.2 m-85 -90.43 -10.53 43.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 22' ' ' TYR . 7.8 ttt-85 -36.41 -60.09 0.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -42.14 -39.35 1.97 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.586 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 15.1 m-70 -58.72 -60.87 3.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.568 ' CD1' HD13 ' A' ' 48' ' ' LEU . 21.5 m-85 -46.08 -48.13 17.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.99 -34.6 60.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.1 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.33 -39.34 65.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.09 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.53 2.1 40.6 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.471 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.26 19.08 31.48 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.468 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.536 ' CD1' ' SD ' ' A' ' 40' ' ' MET . 72.2 m-85 -122.4 102.05 7.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.877 0.37 . . . . 0.0 110.908 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.0 t -113.8 -11.6 12.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.476 ' O ' HG23 ' A' ' 37' ' ' VAL . 13.9 m -120.33 167.32 12.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.502 HD11 ' CB ' ' A' ' 13' ' ' TRP . 0.3 OUTLIER -76.92 -45.26 28.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.94 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -44.18 -46.36 8.14 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 6.7 ptp -75.75 -29.89 59.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.815 0.34 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.624 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 11.1 t -69.34 -30.71 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.556 ' HA ' HG23 ' A' ' 63' ' ' ILE . 5.4 mp -67.87 -23.01 65.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.4 ptp85 -96.29 15.24 21.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.536 ' SD ' ' CD1' ' A' ' 31' ' ' TYR . 58.0 mtp -97.61 164.86 12.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.872 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 42' ' ' ALA . 1.7 m-80 -149.58 167.56 26.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 41' ' ' ASN . . . -36.04 -47.19 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.102 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -50.7 -48.55 58.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -73.57 -56.06 5.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.007 HG21 ' CD2' ' A' ' 60' ' ' LEU . 70.3 t -46.68 -54.68 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -43.09 -46.48 5.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.62 -34.33 64.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.568 HD13 ' CD1' ' A' ' 26' ' ' PHE . 48.5 mt -60.52 -25.78 66.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 122.2 -27.85 5.99 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.47 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.742 ' H ' HD12 ' A' ' 50' ' ' ILE . 2.0 mp -70.82 104.65 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.865 0.365 . . . . 0.0 111.123 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.476 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 81.2 p -119.97 -17.31 8.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.532 ' O ' ' C ' ' A' ' 53' ' ' MET . 5.3 mp -50.06 99.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.532 ' C ' ' O ' ' A' ' 52' ' ' LEU . 19.8 mmt -27.54 -54.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.445 ' O ' ' HG2' ' A' ' 58' ' ' LYS . . . -51.44 -62.86 5.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.47 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.49 ' O ' ' N ' ' A' ' 58' ' ' LYS . 44.9 m170 -61.09 -52.94 62.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.761 0.315 . . . . 0.0 110.839 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.476 ' NE2' ' HA ' ' A' ' 51' ' ' THR . 7.9 mt-30 -43.56 -30.64 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -79.52 -31.32 42.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -67.09 -55.43 14.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 179.844 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.416 HG21 ' HZ ' ' A' ' 26' ' ' PHE . 88.6 mt -58.42 -61.32 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.087 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 1.007 ' CD2' HG21 ' A' ' 45' ' ' VAL . 4.0 mm? -58.92 -60.67 3.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.426 ' O ' HG22 ' A' ' 65' ' ' THR . . . -41.5 -37.91 1.95 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.448 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.481 ' OG ' HG21 ' A' ' 17' ' ' ILE . 68.3 m -78.93 -28.24 43.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.86 0.362 . . . . 0.0 110.849 -179.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.556 HG23 ' HA ' ' A' ' 38' ' ' LEU . 68.5 mt -74.64 -50.25 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.186 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.427 ' HG2' ' N ' ' A' ' 65' ' ' THR . 3.2 pt20 -49.37 -41.63 39.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.427 ' N ' ' HG2' ' A' ' 64' ' ' GLN . 3.8 t -82.73 -36.44 25.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.493 ' SD ' ' NE1' ' A' ' 13' ' ' TRP . 9.4 mtp . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.583 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.4 pp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.909 0.385 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.522 ' O ' ' N ' ' A' ' 11' ' ' GLY . 8.8 t -110.79 148.51 32.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.161 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.676 HG12 HD12 ' A' ' 14' ' ' LEU . 55.0 t -36.02 -28.24 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.16 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -74.17 -49.28 12.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.494 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.437 ' CB ' ' HB2' ' A' ' 8' ' ' LEU . 4.1 t0 -49.87 -65.16 0.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 110.879 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.564 ' H ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -50.72 -62.14 1.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.947 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.676 HD12 HG12 ' A' ' 10' ' ' VAL . 54.2 mt -47.55 -39.69 17.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -53.48 -39.69 64.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.4 m -56.87 -37.23 71.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.832 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.607 HD11 HD23 ' A' ' 14' ' ' LEU . 15.5 pt -97.13 14.37 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.124 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? 54.86 28.85 10.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.417 ' HG2' ' CG1' ' A' ' 17' ' ' ILE . 23.1 mmm -110.61 5.18 20.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -51.63 -18.6 4.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.523 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.435 ' NH1' ' HB2' ' A' ' 21' ' ' ARG . 0.5 OUTLIER -62.02 -20.41 63.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 110.843 -179.883 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.589 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 41.5 m-85 -94.67 -11.01 30.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.987 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.418 ' HG3' HG12 ' A' ' 10' ' ' VAL . 17.8 ttt180 -41.52 -55.0 3.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.84 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -44.59 -34.87 2.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.589 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 12.9 m-70 -64.08 -60.8 2.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.512 ' CD2' HD11 ' A' ' 48' ' ' LEU . 33.2 m-85 -45.57 -43.43 12.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.86 -30.82 66.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.082 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.01 -40.71 53.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.93 1.8 29.46 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.454 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.74 22.57 20.68 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.612 ' CE1' ' SD ' ' A' ' 40' ' ' MET . 94.6 m-85 -119.76 105.51 11.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.91 0.386 . . . . 0.0 110.916 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.6 t -112.43 -11.38 13.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.846 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.549 ' O ' HG23 ' A' ' 37' ' ' VAL . 67.2 m -132.99 172.25 12.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.837 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.496 ' HG ' HD11 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -76.88 -34.79 57.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -44.62 -47.34 8.98 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.423 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.7 -33.48 40.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.842 0.353 . . . . 0.0 110.869 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 33' ' ' SER . 27.3 t -56.47 -34.14 40.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.678 HD13 HG23 ' A' ' 63' ' ' ILE . 2.1 mm? -76.66 -0.53 23.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.959 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -103.58 -18.58 14.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.612 ' SD ' ' CE1' ' A' ' 31' ' ' TYR . 0.4 OUTLIER -93.9 174.5 7.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.915 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.461 ' O ' ' C ' ' A' ' 42' ' ' ALA . 55.8 t30 -160.69 -179.98 8.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.461 ' C ' ' O ' ' A' ' 41' ' ' ASN . . . -33.01 -39.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.081 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 41' ' ' ASN . 41.8 mt-30 -58.33 -54.08 51.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 41' ' ' ASN . 54.1 m-20 -74.77 -45.14 45.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.664 HG21 HD21 ' A' ' 60' ' ' LEU . 59.3 t -50.28 -54.36 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.081 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 2.6 tmm_? -42.75 -42.24 3.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.95 -34.87 75.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.061 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.612 HD11 ' HE1' ' A' ' 40' ' ' MET . 73.6 mt -58.53 -29.75 66.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 122.66 -17.54 8.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.745 ' H ' HD12 ' A' ' 50' ' ' ILE . 2.8 mp -79.61 102.97 6.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.859 0.361 . . . . 0.0 111.16 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.492 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 72.9 p -119.91 -21.85 6.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 55' ' ' HIS . 2.7 mp -49.97 103.64 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.455 ' C ' ' O ' ' A' ' 52' ' ' LEU . 30.0 mmt -33.52 -53.48 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -51.05 -42.79 48.88 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.474 ' N ' ' O ' ' A' ' 52' ' ' LEU . 12.9 m170 -81.79 -60.5 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.775 0.321 . . . . 0.0 110.846 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.492 ' NE2' ' HA ' ' A' ' 51' ' ' THR . 12.8 mt-30 -36.56 -34.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -68.88 -47.28 66.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.472 ' N ' ' HD2' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -56.32 -63.14 1.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 179.875 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.691 HD12 HG21 ' A' ' 50' ' ' ILE . 91.0 mt -49.62 -70.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.123 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.664 HD21 HG21 ' A' ' 45' ' ' VAL . 3.6 mm? -52.84 -60.2 3.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -40.32 -36.65 0.98 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.526 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.575 ' O ' HG22 ' A' ' 65' ' ' THR . 1.5 m -78.07 -36.72 47.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 0.0 110.845 -179.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.678 HG23 HD13 ' A' ' 38' ' ' LEU . 67.0 mt -65.65 -51.95 56.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.157 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -49.76 -39.54 38.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.575 HG22 ' O ' ' A' ' 62' ' ' SER . 10.4 t -82.67 -24.5 33.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.511 ' HB3' HD11 ' A' ' 38' ' ' LEU . 18.0 mtm . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.4 t -89.82 -49.63 6.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.36 . . . . 0.0 110.853 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.0 t -68.2 -58.16 4.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.25 119.44 0.56 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.503 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t -93.72 136.82 33.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.861 0.362 . . . . 0.0 110.924 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.0 p -107.3 146.14 31.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.97 -44.81 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.549 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.5 pp -109.64 -179.51 3.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.908 0.385 . . . . 0.0 110.922 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.48 HG23 ' H ' ' A' ' 12' ' ' ASP . 9.6 t -105.28 148.92 26.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.767 HG12 HD12 ' A' ' 14' ' ' LEU . 74.6 t -39.97 -25.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.094 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -76.71 -52.46 5.9 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.451 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.48 ' H ' HG23 ' A' ' 9' ' ' THR . 4.0 m-20 -47.93 -58.08 4.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.853 0.358 . . . . 0.0 110.854 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.665 ' CZ3' HG11 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -56.96 -63.44 1.21 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.767 HD12 HG12 ' A' ' 10' ' ' VAL . 37.8 mt -44.84 -41.27 6.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -53.63 -39.97 65.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.9 m -51.85 -41.19 61.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.607 HD12 ' HB3' ' A' ' 58' ' ' LYS . 25.7 pt -98.14 12.7 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.8 mtt85 60.7 38.42 18.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.429 ' CG ' HG13 ' A' ' 17' ' ' ILE . 31.8 mmt -118.72 -1.73 11.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.473 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -50.27 -20.47 3.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.516 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -58.75 -25.53 63.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.35 . . . . 0.0 110.855 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.512 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 38.6 m-85 -90.99 -11.6 38.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 22' ' ' TYR . 11.9 ttt-85 -34.68 -63.22 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.495 ' OD1' ' CD2' ' A' ' 25' ' ' HIS . 2.9 p30 -37.21 -41.68 0.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.834 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.512 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 19.1 m-70 -57.04 -57.86 10.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.579 ' CG ' ' CD1' ' A' ' 48' ' ' LEU . 25.7 m-85 -45.29 -49.84 12.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.28 -31.75 45.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.26 -36.69 46.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.49 5.07 38.85 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.466 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.81 20.12 34.98 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.474 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.703 ' CE2' ' CG ' ' A' ' 40' ' ' MET . 85.1 m-85 -122.01 107.23 11.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 110.904 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.6 t -112.96 -11.46 13.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.506 ' O ' HG23 ' A' ' 37' ' ' VAL . 13.5 m -133.31 175.44 9.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.86 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.488 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -80.9 -36.7 30.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -40.82 -35.65 0.96 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.77 -34.65 13.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.665 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 51.6 t -59.47 -35.24 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.912 HD11 ' HB3' ' A' ' 66' ' ' MET . 4.1 mm? -66.24 -24.32 66.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -102.01 19.91 17.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.703 ' CG ' ' CE2' ' A' ' 31' ' ' TYR . 36.6 mtp -95.56 174.34 7.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.463 ' O ' ' N ' ' A' ' 44' ' ' ASP . 0.6 OUTLIER -161.14 169.51 22.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.454 ' N ' HD21 ' A' ' 60' ' ' LEU . . . -36.78 -45.56 0.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.087 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -54.9 -43.16 72.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 41' ' ' ASN . 5.1 m-20 -77.92 -51.21 10.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 87.8 t -52.6 -54.39 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -47.17 -43.82 21.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.03 -36.7 70.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.579 ' CD1' ' CG ' ' A' ' 26' ' ' PHE . 18.5 mt -60.55 -22.9 64.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.959 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 119.51 -27.37 6.94 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.777 ' H ' HD12 ' A' ' 50' ' ' ILE . 2.5 mp -69.63 102.71 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.926 0.393 . . . . 0.0 111.072 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.469 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 52.2 p -118.01 -27.5 6.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.137 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.414 ' H ' HD12 ' A' ' 52' ' ' LEU . 5.2 mp -50.09 112.49 0.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.439 ' HA ' ' CE ' ' A' ' 53' ' ' MET . 11.8 mmm -43.13 -44.51 5.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -53.09 -34.66 47.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.484 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.495 ' O ' ' N ' ' A' ' 58' ' ' LYS . 13.0 m170 -96.92 -58.54 2.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.763 0.316 . . . . 0.0 110.833 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.469 ' NE2' ' HA ' ' A' ' 51' ' ' THR . 10.4 mt-30 -36.68 -40.86 0.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -62.74 -43.42 98.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.607 ' HB3' HD12 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -59.17 -64.81 0.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.903 179.89 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.603 HD12 HG21 ' A' ' 50' ' ' ILE . 72.0 mt -49.25 -64.4 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.454 HD21 ' N ' ' A' ' 42' ' ' ALA . 16.9 mt -52.3 -57.87 8.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -56.08 -28.9 54.84 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.542 ' HB2' HG21 ' A' ' 17' ' ' ILE . 29.6 t -77.13 -27.92 54.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.847 0.356 . . . . 0.0 110.858 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 84.3 mt -84.48 -48.29 16.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -49.54 -29.45 6.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.892 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 15.3 t -90.04 -30.0 18.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.912 ' HB3' HD11 ' A' ' 38' ' ' LEU . 11.7 mtm -66.55 -33.09 74.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.564 ' HB3' HD12 ' A' ' 38' ' ' LEU . 1.6 ptt180 -92.12 -31.7 15.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.97 -30.18 45.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.113 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.459 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 11.7 pt20 -75.44 -41.15 56.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.459 ' N ' ' HG3' ' A' ' 69' ' ' GLN . 28.0 mt -44.26 -37.27 3.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.484 ' O ' HG23 ' A' ' 71' ' ' THR . 3.0 t -153.74 100.57 2.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.113 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 27.1 p -67.72 176.13 2.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 85.2 m -159.43 112.11 2.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 61.39 45.62 8.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 148.34 -178.56 25.84 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.454 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.1 t -88.84 159.85 17.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.917 0.389 . . . . 0.0 110.886 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -134.13 -67.67 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.475 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.1 -26.2 25.21 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.763 2.309 . . . . 0.0 112.305 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.9 p -55.1 124.7 17.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 97.3 p -97.8 100.68 12.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.466 -179.998 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.4 t -98.34 -53.66 3.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.869 0.366 . . . . 0.0 110.88 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.4 t -65.6 -48.62 71.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.74 163.22 15.95 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.508 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.4 m -104.85 140.56 37.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 110.848 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -76.23 145.7 39.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.08 -76.75 0.19 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.48 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.571 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.4 pp -108.29 179.94 4.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.944 0.402 . . . . 0.0 110.866 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 11' ' ' GLY . 12.6 t -105.73 148.63 27.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.157 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.837 HG12 HD12 ' A' ' 14' ' ' LEU . 92.3 t -39.29 -25.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.157 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -76.42 -49.14 8.45 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.485 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.423 ' H ' HG23 ' A' ' 9' ' ' THR . 0.9 OUTLIER -51.16 -57.51 8.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.818 0.342 . . . . 0.0 110.89 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.599 ' CD1' ' SD ' ' A' ' 66' ' ' MET . 0.1 OUTLIER -58.45 -63.06 1.41 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.837 HD12 HG12 ' A' ' 10' ' ' VAL . 47.0 mt -44.82 -46.57 10.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.96 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -48.66 -44.56 37.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.1 t -51.98 -44.0 63.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.831 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.746 HG21 ' OG ' ' A' ' 62' ' ' SER . 40.2 pt -90.47 13.73 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.11 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 61.64 33.67 18.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.427 ' C ' ' HB3' ' A' ' 14' ' ' LEU . 28.4 mmt -119.48 -1.21 10.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.466 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -52.82 -21.48 9.92 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.446 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -63.14 -22.1 66.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.812 0.339 . . . . 0.0 110.876 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.541 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 36.4 m-85 -92.29 -10.09 39.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.929 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -38.27 -59.38 0.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -40.19 -38.13 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.828 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.541 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 16.1 m-70 -60.55 -59.95 4.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.599 ' CG ' HD13 ' A' ' 48' ' ' LEU . 34.2 m-85 -45.3 -47.14 13.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.864 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.77 -30.56 57.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.095 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.95 -36.8 56.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -77.96 6.44 48.74 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.481 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.18 14.6 57.27 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.518 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.548 ' CG ' ' SD ' ' A' ' 40' ' ' MET . 72.1 m-85 -119.99 103.4 9.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.928 0.394 . . . . 0.0 110.926 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 72.3 p -119.69 1.77 11.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.839 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.489 ' O ' HG23 ' A' ' 37' ' ' VAL . 8.7 m -132.8 167.46 20.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.485 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -79.89 -41.43 26.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -49.55 -35.73 22.86 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.491 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 7.6 ptp -88.88 -32.37 17.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.55 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 3.6 t -63.53 -36.53 76.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.3 mt -61.06 -15.28 30.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -98.1 -6.22 32.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.548 ' SD ' ' CG ' ' A' ' 31' ' ' TYR . 48.4 mtp -76.06 172.19 13.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 42' ' ' ALA . 66.9 m-80 -161.89 168.14 23.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.446 ' N ' HD21 ' A' ' 60' ' ' LEU . . . -33.66 -45.89 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.061 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -55.65 -53.61 54.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.97 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -69.69 -54.31 14.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 79.9 t -47.5 -54.21 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.417 ' CD ' ' C ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -47.31 -44.95 23.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.916 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.71 -32.87 65.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.599 HD13 ' CG ' ' A' ' 26' ' ' PHE . 51.9 mt -63.63 -23.65 67.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 121.25 -28.2 6.12 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.519 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.819 HG21 HD12 ' A' ' 59' ' ' ILE . 2.9 mp -68.04 102.53 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.909 0.385 . . . . 0.0 111.15 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.48 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 59.5 p -119.65 -23.26 6.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.133 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 53' ' ' MET . 3.8 mm? -50.25 113.61 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.877 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.497 ' O ' ' CG ' ' A' ' 57' ' ' LYS . 0.1 OUTLIER -35.85 -52.99 0.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.401 ' O ' ' HD3' ' A' ' 58' ' ' LYS . . . -54.92 -48.22 68.16 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.464 ' CD2' ' N ' ' A' ' 55' ' ' HIS . 7.2 m170 -70.24 -60.77 2.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.774 0.321 . . . . 0.0 110.846 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.494 ' CG ' ' O ' ' A' ' 50' ' ' ILE . 17.5 mt-30 -46.4 -40.85 12.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.497 ' CG ' ' O ' ' A' ' 53' ' ' MET . 22.5 mmtt -62.48 -48.59 78.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.431 ' N ' ' HD2' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -58.62 -59.52 5.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.878 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.819 HD12 HG21 ' A' ' 50' ' ' ILE . 63.5 mt -54.1 -65.29 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.446 HD21 ' N ' ' A' ' 42' ' ' ALA . 59.2 mt -52.52 -59.62 4.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -54.26 -29.28 45.28 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.746 ' OG ' HG21 ' A' ' 17' ' ' ILE . 37.9 m -80.05 -27.36 39.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.815 0.341 . . . . 0.0 110.85 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 94.1 mt -81.02 -49.38 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.48 ' HA ' ' CZ ' ' A' ' 67' ' ' ARG . 0.3 OUTLIER -49.88 -37.67 32.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.958 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.447 ' N ' ' HG3' ' A' ' 64' ' ' GLN . 10.0 t -84.19 -30.97 25.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.165 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.599 ' SD ' ' CD1' ' A' ' 13' ' ' TRP . 10.4 mtp -66.48 -29.7 69.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.845 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.592 ' HA ' HD12 ' A' ' 70' ' ' LEU . 3.9 ptt-85 -94.64 -34.6 12.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.04 -36.21 78.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.081 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.475 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 7.7 pt20 -59.53 -39.34 83.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.592 HD12 ' HA ' ' A' ' 67' ' ' ARG . 10.6 mt -58.3 -58.21 9.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 67.3 p -51.3 -46.79 62.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.175 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 91.1 p -114.71 102.79 10.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.2 t -144.37 151.24 39.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.146 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 75' ' ' GLY . 1.9 mp0 -74.24 167.19 22.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 74' ' ' GLN . . . -37.73 119.38 0.71 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.525 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.7 t -92.02 171.89 8.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.895 0.379 . . . . 0.0 110.877 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -154.02 -66.55 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.452 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.06 155.4 8.85 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.757 2.304 . . . . 0.0 112.274 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 92.1 p -154.61 179.6 8.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 41.7 p -90.72 142.08 28.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.461 179.98 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 3' ' ' SER . 89.0 p -78.22 114.43 17.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.935 0.398 . . . . 0.0 110.834 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 2' ' ' SER . 27.9 t -36.51 -57.09 0.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.865 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.11 148.47 16.97 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.491 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -107.21 115.75 30.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.888 0.375 . . . . 0.0 110.821 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.7 m -73.99 109.34 7.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.37 -57.16 0.6 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.507 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.565 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.3 pp -112.03 179.41 4.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.507 HG23 ' H ' ' A' ' 12' ' ' ASP . 9.6 t -104.97 147.05 28.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.725 HG12 HD12 ' A' ' 14' ' ' LEU . 63.8 t -37.45 -33.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -68.39 -54.7 15.01 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.492 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.507 ' H ' HG23 ' A' ' 9' ' ' THR . 0.9 OUTLIER -45.73 -62.21 1.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.762 0.315 . . . . 0.0 110.881 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.599 ' HZ3' HG13 ' A' ' 10' ' ' VAL . 0.1 OUTLIER -52.1 -62.49 1.6 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.725 HD12 HG12 ' A' ' 10' ' ' VAL . 52.1 mt -47.49 -36.21 9.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -56.82 -37.78 71.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.6 t -57.03 -40.71 77.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.559 HG21 ' HB2' ' A' ' 62' ' ' SER . 17.0 pt -94.9 18.71 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.185 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 45.0 mtm180 54.02 35.24 21.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.441 ' CG ' HD12 ' A' ' 17' ' ' ILE . 39.5 mmm -119.63 2.88 11.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -51.21 -17.67 2.75 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.505 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -62.8 -25.41 68.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.777 0.322 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.593 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 39.5 m-85 -91.66 -8.54 46.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -45.99 -42.57 13.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.873 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -57.35 -31.55 65.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.593 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 10.3 m-70 -66.65 -54.9 18.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.613 ' CD1' ' CD1' ' A' ' 48' ' ' LEU . 21.0 m-85 -46.76 -45.87 20.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.51 -29.27 61.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.078 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.57 -34.8 40.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.108 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.15 8.85 50.23 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.9 15.05 58.5 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.544 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.602 ' CD2' ' SD ' ' A' ' 40' ' ' MET . 75.1 m-85 -121.25 105.46 10.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.935 0.398 . . . . 0.0 110.889 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.431 ' C ' HG23 ' A' ' 10' ' ' VAL . 3.2 t -117.69 -12.66 10.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.882 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.584 ' O ' HG23 ' A' ' 37' ' ' VAL . 9.0 m -120.63 169.97 9.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.491 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -80.99 -42.24 21.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.874 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -47.1 -30.76 5.53 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.478 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 8.0 ptp -94.39 -23.18 17.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.798 0.332 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 33' ' ' SER . 12.7 t -72.05 -32.11 42.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.149 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.908 HD12 ' HB3' ' A' ' 67' ' ' ARG . 4.3 mm? -66.1 -21.66 66.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -98.0 19.79 13.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.602 ' SD ' ' CD2' ' A' ' 31' ' ' TYR . 23.1 mtp -103.5 162.79 12.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -148.07 -179.6 7.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.472 ' HA ' HD11 ' A' ' 60' ' ' LEU . . . -42.46 -44.5 4.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -57.46 -47.82 80.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.435 ' CB ' ' HE3' ' A' ' 40' ' ' MET . 26.4 m-20 -70.22 -58.16 4.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.8 t -50.17 -54.06 9.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.873 ' HD2' HG22 ' A' ' 51' ' ' THR . 14.5 tpt180 -49.84 -41.02 44.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.29 -37.68 75.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.079 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.613 ' CD1' ' CD1' ' A' ' 26' ' ' PHE . 38.5 mt -58.7 -25.84 63.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.414 ' O ' HG23 ' A' ' 51' ' ' THR . . . 124.33 -23.6 6.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.482 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.746 ' H ' HD12 ' A' ' 50' ' ' ILE . 2.9 mp -72.5 103.63 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.895 0.379 . . . . 0.0 111.09 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.873 HG22 ' HD2' ' A' ' 46' ' ' ARG . 1.5 p -118.37 -28.57 5.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.117 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 53' ' ' MET . 2.3 mt -50.87 109.63 0.34 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.424 ' C ' ' O ' ' A' ' 52' ' ' LEU . 37.2 mmt -36.57 -56.6 0.81 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -42.77 -40.18 3.88 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.487 ' O ' ' N ' ' A' ' 58' ' ' LYS . 21.4 m170 -89.58 -58.62 2.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.74 0.305 . . . . 0.0 110.843 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.491 ' NE2' ' HA ' ' A' ' 51' ' ' THR . 11.2 mt-30 -39.66 -41.04 1.0 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -65.45 -37.62 87.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.535 ' HB3' HD12 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -64.85 -62.05 1.8 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.915 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.537 HD12 HG21 ' A' ' 50' ' ' ILE . 77.6 mt -52.19 -58.1 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.127 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.472 HD11 ' HA ' ' A' ' 42' ' ' ALA . 18.6 mt -59.7 -58.27 9.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -54.67 -28.22 45.32 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.456 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.559 ' HB2' HG21 ' A' ' 17' ' ' ILE . 23.3 t -76.63 -25.63 54.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.897 0.379 . . . . 0.0 110.889 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.709 HG23 HD13 ' A' ' 38' ' ' LEU . 82.3 mt -86.04 -49.77 14.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.182 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -46.52 -30.37 2.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.941 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.8 t -88.63 -30.75 18.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.6 ' HB3' HD11 ' A' ' 38' ' ' LEU . 15.4 mtm -65.77 -36.35 83.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.908 ' HB3' HD12 ' A' ' 38' ' ' LEU . 2.0 ptt180 -87.55 -36.41 17.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.14 -33.66 67.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.076 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -80.1 -21.32 43.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.594 HD12 ' HA ' ' A' ' 67' ' ' ARG . 12.9 mt -73.2 -14.83 61.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 56.1 p -112.89 19.16 17.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.16 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.01 161.27 8.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.2 t -83.74 -39.16 20.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.137 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 51.1 tp60 -163.55 139.46 6.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 110.58 69.55 0.6 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 54.3 m -143.13 162.18 36.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.919 0.39 . . . . 0.0 110.873 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.49 69.64 1.3 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.468 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.07 -46.53 31.94 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.788 2.325 . . . . 0.0 112.287 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 35.8 t -138.38 108.41 6.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 75.8 p -103.28 127.29 50.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.865 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.51 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m -147.28 154.55 41.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.876 0.369 . . . . 0.0 110.875 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t 69.24 42.17 1.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.876 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.41 -162.95 48.16 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.447 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.4 p -63.99 146.3 54.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.902 0.382 . . . . 0.0 110.864 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 t -50.68 -49.35 57.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.44 -40.53 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.449 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.595 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.3 pp -119.59 -178.71 3.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.91 0.386 . . . . 0.0 110.927 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.533 ' O ' ' N ' ' A' ' 11' ' ' GLY . 9.7 t -106.22 148.1 28.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.792 HG12 HD12 ' A' ' 14' ' ' LEU . 68.0 t -35.39 -29.15 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.133 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -72.07 -51.61 13.74 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.442 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.464 ' HB3' HD13 ' A' ' 8' ' ' LEU . 5.4 t0 -48.07 -64.86 0.68 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.848 0.356 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.576 ' CH2' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -50.87 -63.64 1.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.792 HD12 HG12 ' A' ' 10' ' ' VAL . 47.6 mt -44.77 -42.12 7.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -52.85 -39.72 62.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.7 t -52.06 -44.49 64.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.575 HD12 ' HB3' ' A' ' 58' ' ' LYS . 34.2 pt -94.04 14.28 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.12 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 48.4 mtp180 60.29 37.15 20.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.401 ' CG ' HG13 ' A' ' 17' ' ' ILE . 32.0 mmt -118.67 -1.82 11.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.444 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -51.14 -20.71 4.93 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.487 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -60.44 -25.18 65.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 0.0 110.865 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.551 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 33.9 m-85 -90.55 -9.91 45.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 22' ' ' TYR . 24.2 ttt180 -37.94 -60.64 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -39.2 -38.11 0.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.826 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.551 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 15.4 m-70 -61.12 -58.41 8.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.62 ' CG ' ' CD1' ' A' ' 48' ' ' LEU . 23.7 m-85 -46.02 -47.0 16.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.65 -29.66 59.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.121 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.43 -34.96 41.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.48 8.18 49.26 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.23 16.67 57.12 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.517 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.592 ' CD1' ' SD ' ' A' ' 40' ' ' MET . 80.1 m-85 -121.51 101.69 7.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.848 0.356 . . . . 0.0 110.914 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 60.2 p -114.57 -9.68 12.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.591 ' O ' HG23 ' A' ' 37' ' ' VAL . 12.4 m -123.35 168.5 12.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.823 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.61 HD12 ' SD ' ' A' ' 66' ' ' MET . 0.3 OUTLIER -78.2 -43.29 28.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.874 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -46.11 -45.2 14.98 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 7.6 ptp -78.55 -20.86 49.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 33' ' ' SER . 10.8 t -75.96 -37.24 33.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.641 ' CD1' HD12 ' A' ' 70' ' ' LEU . 41.3 mt -61.9 -19.27 62.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -101.49 19.9 17.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.592 ' SD ' ' CD1' ' A' ' 31' ' ' TYR . 37.7 mtp -99.49 166.43 11.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.477 ' O ' ' N ' ' A' ' 44' ' ' ASP . 2.2 m-80 -151.25 168.24 25.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.782 ' HA ' HD11 ' A' ' 60' ' ' LEU . . . -34.33 -48.12 0.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -53.68 -45.7 70.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 41' ' ' ASN . 66.3 m-20 -72.19 -59.7 2.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.1 t -48.15 -53.85 5.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.84 -44.16 28.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.86 -35.31 68.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.075 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.62 ' CD1' ' CG ' ' A' ' 26' ' ' PHE . 22.7 mt -60.49 -25.47 66.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 124.03 -27.2 5.68 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.776 ' H ' HD12 ' A' ' 50' ' ' ILE . 2.9 mp -70.16 103.25 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.9 0.381 . . . . 0.0 111.153 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.479 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 44.4 p -117.91 -28.2 5.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.9 mp -50.05 115.38 1.39 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.934 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 35.6 mmt -43.8 -48.74 8.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -52.14 -31.09 32.96 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.476 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.468 ' O ' ' N ' ' A' ' 58' ' ' LYS . 14.0 m170 -97.0 -62.49 1.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.752 0.31 . . . . 0.0 110.86 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.492 ' CG ' ' O ' ' A' ' 50' ' ' ILE . 12.9 mt-30 -36.73 -47.35 0.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -57.52 -43.24 84.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.575 ' HB3' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -60.38 -64.52 0.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.906 179.832 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.732 HD12 HG21 ' A' ' 50' ' ' ILE . 74.0 mt -50.99 -63.45 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.782 HD11 ' HA ' ' A' ' 42' ' ' ALA . 15.5 mt -55.94 -59.91 4.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -51.84 -32.48 33.62 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.545 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.463 ' HB2' HG21 ' A' ' 17' ' ' ILE . 24.6 t -71.93 -34.23 68.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.849 0.357 . . . . 0.0 110.867 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.576 HD11 ' CH2' ' A' ' 13' ' ' TRP . 62.2 mt -79.04 -54.77 11.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -38.9 -34.06 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 15.0 t -94.24 -27.15 16.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.61 ' SD ' HD12 ' A' ' 34' ' ' LEU . 4.1 ttm -62.08 -33.75 75.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -83.81 -37.87 21.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.829 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -38.83 -50.15 1.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.442 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 14.8 pt20 -59.88 -36.06 76.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.641 HD12 ' CD1' ' A' ' 38' ' ' LEU . 15.4 mt -72.59 -51.14 20.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 68.2 p -48.8 -47.59 41.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.3 t -71.57 170.08 14.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.403 HG23 ' N ' ' A' ' 74' ' ' GLN . 10.2 t -61.58 -40.71 95.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.159 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.403 ' N ' HG23 ' A' ' 73' ' ' THR . 3.6 tp-100 -54.64 154.63 4.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -136.35 -38.61 0.16 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.502 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 97.1 p 51.16 43.07 29.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.864 0.364 . . . . 0.0 110.881 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -162.1 156.33 27.87 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.05 144.55 36.79 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.751 2.301 . . . . 0.0 112.339 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.4 t -70.91 103.14 2.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 94.1 p -98.46 104.24 16.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.854 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.474 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.5 t -137.32 125.49 23.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.898 0.38 . . . . 0.0 110.891 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.0 m -81.6 -46.31 14.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.01 49.44 0.48 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.457 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 t -117.89 134.29 55.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.815 0.34 . . . . 0.0 110.862 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 t -81.35 107.86 14.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.83 62.16 0.29 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.529 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.555 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.4 pp -119.11 -178.89 3.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.932 0.396 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 11' ' ' GLY . 12.8 t -106.16 147.45 29.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.709 HG12 HD12 ' A' ' 14' ' ' LEU . 78.8 t -38.72 -25.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -75.85 -51.64 6.92 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.43 ' H ' HG23 ' A' ' 9' ' ' THR . 5.7 m-20 -49.2 -58.46 4.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.803 0.335 . . . . 0.0 110.847 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.577 ' CE3' ' HG ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.06 -63.56 1.14 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.709 HD12 HG12 ' A' ' 10' ' ' VAL . 39.1 mt -44.97 -42.84 8.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.939 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -51.01 -42.57 60.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.4 t -52.64 -41.22 63.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.769 HD12 ' HG3' ' A' ' 19' ' ' MET . 24.8 pt -96.39 18.45 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.135 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 47.1 mtt85 55.85 33.56 21.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.769 ' HG3' HD12 ' A' ' 17' ' ' ILE . 34.3 mmt -115.09 -2.17 12.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.475 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -50.51 -25.81 9.23 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -57.81 -25.97 61.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.851 0.358 . . . . 0.0 110.857 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.543 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 32.9 m-85 -88.74 -10.51 48.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -39.14 -57.8 1.26 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -41.51 -37.61 1.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.543 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 15.5 m-70 -61.05 -60.0 4.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.594 ' CG ' HD13 ' A' ' 48' ' ' LEU . 31.3 m-85 -44.62 -45.99 9.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.25 -32.65 56.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.28 -39.09 60.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.87 3.36 36.58 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.5 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.53 16.76 51.75 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.467 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.544 ' CG ' ' SD ' ' A' ' 40' ' ' MET . 85.3 m-85 -118.94 107.96 14.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.898 0.38 . . . . 0.0 110.946 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.2 t -119.96 -10.39 9.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.85 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.503 ' O ' HG23 ' A' ' 37' ' ' VAL . 14.8 m -122.23 169.04 11.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.49 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -81.67 -41.26 21.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.884 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -48.84 -30.07 8.73 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.431 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.409 ' SD ' ' HA ' ' A' ' 31' ' ' TYR . 15.3 ptp -94.38 -26.02 16.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.339 . . . . 0.0 110.856 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 33' ' ' SER . 5.7 t -69.04 -42.17 81.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.771 HD13 HG23 ' A' ' 63' ' ' ILE . 3.4 mm? -56.46 -22.35 31.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.873 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.7 mmt85 -87.96 -18.05 29.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.544 ' SD ' ' CG ' ' A' ' 31' ' ' TYR . 39.5 mtp -65.21 179.27 0.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.507 ' O ' ' N ' ' A' ' 44' ' ' ASP . 0.9 OUTLIER -169.09 164.46 11.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.76 ' HA ' HD21 ' A' ' 60' ' ' LEU . . . -32.81 -37.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.075 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 41' ' ' ASN . 9.1 tm0? -63.09 -48.89 76.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 41' ' ' ASN . 66.1 m-20 -77.3 -44.36 29.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.616 HG11 HD11 ' A' ' 60' ' ' LEU . 42.8 t -53.48 -55.38 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.679 ' HG2' HG22 ' A' ' 51' ' ' THR . 4.5 tmm_? -47.52 -45.09 26.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.87 -34.77 60.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.074 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.594 HD13 ' CG ' ' A' ' 26' ' ' PHE . 36.4 mt -63.89 -25.31 68.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 123.49 -30.24 4.99 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.511 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.739 ' H ' HD12 ' A' ' 50' ' ' ILE . 2.3 mp -66.25 101.66 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.873 0.368 . . . . 0.0 111.151 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.679 HG22 ' HG2' ' A' ' 46' ' ' ARG . 74.4 p -119.98 -18.72 8.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.464 ' O ' ' C ' ' A' ' 53' ' ' MET . 3.6 mm? -50.33 107.38 0.16 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.464 ' C ' ' O ' ' A' ' 52' ' ' LEU . 0.3 OUTLIER -32.36 -55.23 0.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.904 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -53.79 -49.11 59.56 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -68.93 -59.36 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.735 0.303 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.494 ' O ' HD13 ' A' ' 60' ' ' LEU . 19.5 mt-30 -45.37 -32.09 1.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.936 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -70.42 -34.16 72.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.468 ' HD3' ' N ' ' A' ' 58' ' ' LYS . 5.9 mmtt -73.52 -56.4 5.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.657 HD12 HG21 ' A' ' 50' ' ' ILE . 63.4 mt -55.08 -60.17 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.126 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.76 HD21 ' HA ' ' A' ' 42' ' ' ALA . 9.6 mp -62.05 -52.12 65.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -55.71 -35.37 62.44 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.45 ' O ' ' CG2' ' A' ' 65' ' ' THR . 10.0 t -75.62 -36.85 60.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.883 0.373 . . . . 0.0 110.855 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.771 HG23 HD13 ' A' ' 38' ' ' LEU . 89.8 mt -69.92 -53.49 23.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.155 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.446 ' HG3' ' N ' ' A' ' 65' ' ' THR . 1.0 OUTLIER -48.29 -32.53 7.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.45 ' CG2' ' O ' ' A' ' 62' ' ' SER . 9.5 t -87.64 -38.33 15.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.488 ' HB3' HD11 ' A' ' 38' ' ' LEU . 18.6 mtm -55.47 -33.99 64.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.736 ' HB3' HD12 ' A' ' 38' ' ' LEU . 3.2 ptm180 -92.61 -35.18 13.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -47.59 -32.26 5.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.081 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.451 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 7.7 pt20 -61.27 -38.74 87.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.451 ' N ' ' HG3' ' A' ' 69' ' ' GLN . 6.9 mp -57.76 -47.21 83.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 79.7 p -75.41 -56.12 5.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.4 t -108.35 121.01 44.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.82 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.9 p -70.31 131.44 44.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.192 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 43.0 tp60 -80.25 -53.31 6.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 53.03 51.52 45.59 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.518 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.7 t -115.99 -38.47 3.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.914 0.388 . . . . 0.0 110.875 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 179.48 95.53 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.16 146.79 29.6 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.723 2.282 . . . . 0.0 112.302 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.7 t 69.97 -170.03 0.17 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.4 t -109.64 112.49 24.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.457 179.97 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.8 p -80.69 115.03 19.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.905 0.383 . . . . 0.0 110.897 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.5 p -65.89 -45.11 83.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.85 -112.33 0.68 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.0 p -91.48 132.47 36.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.919 0.39 . . . . 0.0 110.809 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 t -91.91 123.82 35.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.07 72.1 0.18 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.605 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.3 pp -112.29 -179.65 3.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.908 0.385 . . . . 0.0 110.944 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 11' ' ' GLY . 9.9 t -105.59 145.92 30.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.183 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.715 HG12 HD12 ' A' ' 14' ' ' LEU . 69.8 t -36.86 -28.32 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.075 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -72.73 -48.03 23.88 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.452 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.429 ' H ' HG23 ' A' ' 9' ' ' THR . 0.6 OUTLIER -53.03 -63.78 1.04 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.801 0.334 . . . . 0.0 110.866 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.601 ' CE3' ' HG ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -50.57 -60.11 3.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.968 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.715 HD12 HG12 ' A' ' 10' ' ' VAL . 40.5 mt -48.11 -49.21 32.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -49.15 -37.47 22.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.8 t -53.92 -46.73 71.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.496 HG21 ' HB2' ' A' ' 62' ' ' SER . 46.9 pt -91.9 16.95 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.153 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.3 mtm-85 63.23 31.57 15.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.435 ' C ' ' HB3' ' A' ' 14' ' ' LEU . 32.6 mmt -115.63 -0.27 13.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.412 ' HA2' ' CB ' ' A' ' 14' ' ' LEU . . . -52.57 -14.4 2.41 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.485 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -69.09 -25.88 64.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.839 0.352 . . . . 0.0 110.879 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.574 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 43.1 m-85 -92.86 -6.94 47.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.49 ' CG ' ' N ' ' A' ' 24' ' ' ASP . 4.6 ptm180 -43.38 -50.45 6.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.49 ' N ' ' CG ' ' A' ' 23' ' ' ARG . 6.0 t0 -50.27 -35.25 26.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.574 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 13.4 m-70 -62.45 -56.74 15.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.661 ' CE2' ' HE1' ' A' ' 40' ' ' MET . 24.6 m-85 -46.48 -48.97 18.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.95 -35.29 66.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.088 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.59 -33.14 64.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.074 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.63 5.42 64.8 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.467 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.35 14.12 49.15 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.539 ' CD1' ' SD ' ' A' ' 40' ' ' MET . 68.1 m-85 -122.29 100.37 6.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.914 0.388 . . . . 0.0 110.924 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 42.1 m -110.58 -9.48 14.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.896 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.495 ' O ' HG23 ' A' ' 37' ' ' VAL . 11.5 m -123.33 169.16 11.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.855 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.514 HD12 ' SD ' ' A' ' 66' ' ' MET . 0.3 OUTLIER -78.04 -44.85 25.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -44.95 -45.82 9.3 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.511 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 6.7 ptp -76.82 -22.55 53.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.506 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 11.3 t -77.67 -29.16 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.127 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.505 ' HA ' HG23 ' A' ' 63' ' ' ILE . 5.9 mp -68.8 -23.02 64.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -97.43 15.56 22.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.661 ' HE1' ' CE2' ' A' ' 26' ' ' PHE . 54.2 mtp -94.53 173.04 7.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.498 ' O ' ' N ' ' A' ' 44' ' ' ASP . 57.3 m-80 -155.35 166.58 33.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 41' ' ' ASN . . . -34.06 -48.55 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.07 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -53.94 -44.71 70.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.498 ' N ' ' O ' ' A' ' 41' ' ' ASN . 0.5 OUTLIER -72.64 -60.74 2.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 77.0 t -47.94 -53.01 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.469 ' HG2' HG22 ' A' ' 51' ' ' THR . 0.0 OUTLIER -47.83 -44.89 29.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.17 -32.55 64.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.094 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.586 ' CD1' ' CG ' ' A' ' 26' ' ' PHE . 59.3 mt -63.17 -23.2 67.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 121.03 -23.69 7.65 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.499 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.777 HG21 HD12 ' A' ' 59' ' ' ILE . 2.7 mp -74.87 103.72 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 111.153 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.469 HG22 ' HG2' ' A' ' 46' ' ' ARG . 48.4 p -119.85 -23.87 6.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.487 HD22 ' CE1' ' A' ' 55' ' ' HIS . 5.2 mp -50.02 116.02 1.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 17.9 mmt -44.39 -53.0 7.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.413 ' O ' ' CG ' ' A' ' 58' ' ' LYS . . . -52.12 -26.1 19.45 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.482 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.487 ' CE1' HD22 ' A' ' 52' ' ' LEU . 37.5 m170 -97.69 -64.93 1.0 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.736 0.303 . . . . 0.0 110.863 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.449 ' CD ' ' HA ' ' A' ' 51' ' ' THR . 17.2 mt-30 -39.25 -45.26 1.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -56.26 -39.68 73.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.517 ' N ' ' HD2' ' A' ' 58' ' ' LYS . 4.2 mmmm -69.32 -62.29 1.44 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.777 HD12 HG21 ' A' ' 50' ' ' ILE . 87.0 mt -48.02 -54.95 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.422 HD11 ' HA ' ' A' ' 42' ' ' ALA . 13.2 mt -62.81 -56.66 15.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.35 -22.63 51.54 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.499 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.496 ' HB2' HG21 ' A' ' 17' ' ' ILE . 29.2 t -82.4 -24.37 34.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.804 0.335 . . . . 0.0 110.819 -179.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.505 HG23 ' HA ' ' A' ' 38' ' ' LEU . 96.0 mt -84.24 -55.42 7.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.142 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.456 ' O ' ' HB2' ' A' ' 68' ' ' ALA . 8.7 pt20 -39.55 -39.52 0.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.6 t -78.4 -32.33 48.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.514 ' SD ' HD12 ' A' ' 34' ' ' LEU . 23.5 mtm -64.93 -34.91 79.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.4 ptt180 -93.32 -36.46 12.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.456 ' HB2' ' O ' ' A' ' 64' ' ' GLN . . . -41.27 -38.89 1.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.469 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 8.4 pt20 -62.89 -43.94 97.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.469 ' N ' ' HG3' ' A' ' 69' ' ' GLN . 41.9 mt -49.4 -64.44 0.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.6 t -62.44 -42.54 99.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.124 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.5 t -64.61 129.0 38.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.0 m -57.02 115.35 2.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.127 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -147.93 110.07 4.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -105.71 136.28 13.12 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.48 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 88.3 p -149.88 118.07 6.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.928 0.394 . . . . 0.0 110.855 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -112.12 95.58 0.8 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.486 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.08 178.8 0.04 OUTLIER 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.708 2.272 . . . . 0.0 112.324 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 54.1 p -148.38 155.38 41.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 46.0 t -79.23 134.96 36.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.49 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.0 p 50.18 42.42 25.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.907 0.384 . . . . 0.0 110.822 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.7 t -47.89 -46.92 32.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.03 71.69 0.27 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.6 p -113.59 142.41 46.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.867 0.365 . . . . 0.0 110.815 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.2 p -124.66 171.4 10.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.815 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.28 71.29 0.22 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.467 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.546 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.5 pp -109.24 -177.89 3.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.928 0.394 . . . . 0.0 110.914 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 11' ' ' GLY . 11.6 t -107.02 148.17 29.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.676 HG12 HD12 ' A' ' 14' ' ' LEU . 46.2 t -39.37 -25.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -76.86 -49.34 7.82 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.471 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.456 ' H ' HG23 ' A' ' 9' ' ' THR . 1.0 OUTLIER -50.66 -59.8 3.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.806 0.336 . . . . 0.0 110.849 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.58 ' CZ3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -55.47 -63.94 1.0 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.676 HD12 HG12 ' A' ' 10' ' ' VAL . 45.9 mt -44.58 -45.95 9.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -50.39 -45.26 55.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 53.5 m -51.21 -47.87 62.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.836 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.575 HD12 ' HG3' ' A' ' 19' ' ' MET . 26.3 pt -84.37 12.5 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.5 mtm180 61.54 33.77 18.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.575 ' HG3' HD12 ' A' ' 17' ' ' ILE . 31.2 mmt -119.66 2.17 11.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -51.94 -20.62 6.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.1 ptp85 -62.31 -24.81 67.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.348 . . . . 0.0 110.874 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.599 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 32.6 m-85 -89.49 -10.54 45.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.95 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.461 ' CD ' ' HB ' ' A' ' 10' ' ' VAL . 8.9 tpt180 -42.47 -55.98 3.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.852 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -42.93 -32.9 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.599 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 11.9 m-70 -66.38 -59.45 3.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.805 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.625 ' CG ' ' CD1' ' A' ' 48' ' ' LEU . 25.8 m-85 -47.25 -44.06 22.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.55 -29.73 59.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.79 -39.23 24.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.4 0.2 34.53 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.526 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.07 18.66 36.11 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.454 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.594 ' CD1' ' SD ' ' A' ' 40' ' ' MET . 78.7 m-85 -120.52 100.92 7.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.878 0.371 . . . . 0.0 110.875 -179.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.0 t -112.28 -13.19 13.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.6 m -119.11 167.23 12.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.492 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -78.51 -42.51 29.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.908 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -47.2 -44.11 19.62 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.516 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 8.0 ptp -77.75 -24.37 49.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.812 0.339 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.58 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 7.7 t -76.4 -30.43 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.118 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.46 ' HG ' ' CA ' ' A' ' 67' ' ' ARG . 1.7 mp -66.64 -20.97 66.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -99.62 15.4 26.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.594 ' SD ' ' CD1' ' A' ' 31' ' ' TYR . 27.2 mtp -96.7 171.05 8.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.456 ' O ' ' C ' ' A' ' 42' ' ' ALA . 58.8 m-80 -157.0 165.24 36.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.503 ' N ' HD21 ' A' ' 60' ' ' LEU . . . -33.27 -44.92 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.097 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -52.32 -52.12 54.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 41' ' ' ASN . 32.5 m-20 -72.23 -51.68 19.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.1 t -48.56 -55.55 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -43.55 -47.27 7.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.11 -34.21 55.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.147 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.625 ' CD1' ' CG ' ' A' ' 26' ' ' PHE . 19.3 mt -62.7 -27.5 69.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 123.88 -29.09 5.25 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.532 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.742 ' H ' HD12 ' A' ' 50' ' ' ILE . 2.1 mp -68.2 99.96 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.869 0.366 . . . . 0.0 111.107 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.442 ' HA ' ' CD ' ' A' ' 56' ' ' GLN . 47.9 p -116.7 -27.45 6.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.178 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.3 mt -50.1 112.3 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.434 ' HA ' ' CE ' ' A' ' 53' ' ' MET . 25.1 mmt -42.66 -44.47 4.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -52.49 -35.47 44.7 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.499 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.502 ' O ' ' N ' ' A' ' 58' ' ' LYS . 17.8 m170 -95.79 -60.08 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.748 0.309 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.489 ' CG ' ' O ' ' A' ' 50' ' ' ILE . 11.1 mt-30 -36.71 -39.76 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -62.8 -43.53 98.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.2 OUTLIER -59.87 -67.71 0.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.832 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.555 HD12 HG21 ' A' ' 50' ' ' ILE . 73.2 mt -45.5 -62.58 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.503 HD21 ' N ' ' A' ' 42' ' ' ALA . 16.6 mt -54.56 -56.98 13.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -50.82 -35.31 31.13 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.403 ' O ' ' SD ' ' A' ' 66' ' ' MET . 4.6 t -78.84 -31.13 45.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 0.0 110.85 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 85.6 mt -75.71 -58.19 4.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.147 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.424 ' HG3' ' N ' ' A' ' 65' ' ' THR . 1.6 pp0? -39.82 -39.36 0.79 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.457 HG23 ' N ' ' A' ' 66' ' ' MET . 9.4 t -84.42 -42.98 15.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.457 ' N ' HG23 ' A' ' 65' ' ' THR . 11.0 mtp -54.74 -37.36 65.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.46 ' CA ' ' HG ' ' A' ' 38' ' ' LEU . 7.9 ptt180 -81.05 -35.35 31.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.89 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.42 ' N ' ' HG3' ' A' ' 67' ' ' ARG . . . -44.91 -42.23 7.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.471 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 16.6 pt20 -45.14 -44.44 10.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.471 ' N ' ' HG3' ' A' ' 69' ' ' GLN . 8.2 mt -54.08 -40.51 67.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.647 ' O ' HG23 ' A' ' 71' ' ' THR . 10.1 t -152.16 99.96 2.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 65.4 p -111.66 165.88 11.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.9 t -86.26 149.49 25.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.161 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -83.36 111.99 19.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -102.16 -88.23 2.03 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.479 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 54.9 p -142.05 147.34 36.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.948 0.404 . . . . 0.0 110.835 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -64.33 112.27 4.86 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.519 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.07 166.24 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.725 2.283 . . . . 0.0 112.295 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 70.0 p -118.57 164.51 15.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.835 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 29.1 t -113.12 145.09 41.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.367 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.472 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.6 t -56.58 -45.2 81.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.892 0.377 . . . . 0.0 110.832 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -109.91 103.92 12.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.837 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.68 138.58 6.0 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.51 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 t -76.85 148.38 36.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.873 0.368 . . . . 0.0 110.81 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 t -75.77 -52.67 9.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.75 -47.68 0.36 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.578 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.4 pp -108.6 -178.58 3.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.952 0.406 . . . . 0.0 110.861 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 11' ' ' GLY . 5.8 t -106.55 147.36 29.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.174 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.768 HG12 HD12 ' A' ' 14' ' ' LEU . 69.5 t -36.75 -28.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -72.42 -53.62 8.56 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.502 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.465 ' H ' HG23 ' A' ' 9' ' ' THR . 3.2 m-20 -46.5 -62.91 1.16 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.845 0.355 . . . . 0.0 110.853 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.576 ' CZ3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -52.84 -63.4 1.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.768 HD12 HG12 ' A' ' 10' ' ' VAL . 58.7 mt -46.67 -35.61 6.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -60.64 -37.82 82.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.835 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 t -56.35 -40.71 74.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.484 HD12 ' CG ' ' A' ' 19' ' ' MET . 16.6 pt -92.57 15.17 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.155 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 57.56 31.07 19.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.484 ' CG ' HD12 ' A' ' 17' ' ' ILE . 34.6 mmm -115.43 3.11 14.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.14 -19.67 2.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -58.95 -25.83 63.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.844 0.355 . . . . 0.0 110.914 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.595 ' CD1' HG13 ' A' ' 50' ' ' ILE . 31.4 m-85 -92.69 -9.07 42.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.0 ptt-85 -46.45 -41.46 13.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -59.33 -30.89 68.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.591 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 9.6 m-70 -66.67 -55.75 13.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.721 ' HA ' HD13 ' A' ' 48' ' ' LEU . 21.4 m-85 -45.23 -45.12 11.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.26 -31.66 61.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.04 -39.55 63.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.079 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.12 -0.58 61.31 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.26 15.43 44.44 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.462 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.563 ' CD1' ' SD ' ' A' ' 40' ' ' MET . 88.9 m-85 -116.46 107.58 14.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.827 0.346 . . . . 0.0 110.935 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.443 ' C ' HG23 ' A' ' 10' ' ' VAL . 37.1 t -119.84 -12.1 9.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.451 ' O ' HG23 ' A' ' 37' ' ' VAL . 16.5 m -118.29 164.54 15.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.496 ' CG ' HD11 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -76.91 -42.26 40.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -47.32 -44.63 21.09 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.506 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.4 ' SD ' ' HA ' ' A' ' 31' ' ' TYR . 17.5 ptp -78.96 -24.31 43.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.828 0.347 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.576 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 7.5 t -76.01 -29.15 19.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.426 HD11 ' HB3' ' A' ' 66' ' ' MET . 1.9 mp -67.83 -23.14 65.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -97.23 13.01 30.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.563 ' SD ' ' CD1' ' A' ' 31' ' ' TYR . 27.4 mtp -95.25 -178.98 4.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.487 ' O ' ' N ' ' A' ' 44' ' ' ASP . 0.7 OUTLIER -168.73 164.18 12.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.894 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.52 ' HB2' ' CD2' ' A' ' 60' ' ' LEU . . . -33.25 -41.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.054 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 16.0 tp60 -56.89 -47.98 79.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 41' ' ' ASN . 41.3 m-20 -78.96 -42.99 25.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.506 HG11 HD11 ' A' ' 60' ' ' LEU . 88.4 t -55.33 -52.68 43.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.654 ' HG2' HG22 ' A' ' 51' ' ' THR . 3.3 tmm_? -44.19 -45.76 8.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.72 -34.56 53.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.721 HD13 ' HA ' ' A' ' 26' ' ' PHE . 14.3 mt -64.84 -29.7 70.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 126.35 -28.86 4.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.473 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.818 HG21 HD12 ' A' ' 59' ' ' ILE . 2.8 mp -66.18 100.0 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.884 0.373 . . . . 0.0 111.16 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.654 HG22 ' HG2' ' A' ' 46' ' ' ARG . 70.9 p -120.04 -25.65 5.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.143 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 55' ' ' HIS . 3.1 mm? -45.57 102.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.476 ' C ' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -32.02 -41.32 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . -64.89 -46.25 90.01 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.449 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.5 ' N ' ' O ' ' A' ' 52' ' ' LEU . 11.3 m170 -74.4 -57.52 3.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.762 0.315 . . . . 0.0 110.885 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.508 ' NE2' ' HA ' ' A' ' 51' ' ' THR . 18.9 mt-30 -41.33 -44.15 2.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.959 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.4 mttm -56.92 -45.45 82.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.4 ' HD2' ' O ' ' A' ' 54' ' ' GLY . 0.1 OUTLIER -59.37 -62.93 1.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.86 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.818 HD12 HG21 ' A' ' 50' ' ' ILE . 67.3 mt -53.71 -66.92 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.128 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.52 ' CD2' ' HB2' ' A' ' 42' ' ' ALA . 8.1 mp -47.78 -54.29 12.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.1 -33.47 79.72 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.519 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.605 ' O ' HG22 ' A' ' 65' ' ' THR . 11.0 t -71.5 -32.72 68.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 110.886 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 95.0 mt -73.69 -50.8 27.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.174 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.44 ' HG2' ' N ' ' A' ' 65' ' ' THR . 3.5 pt20 -45.37 -36.7 4.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.605 HG22 ' O ' ' A' ' 62' ' ' SER . 14.8 t -81.98 -26.79 33.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.574 ' HE1' ' CD2' ' A' ' 13' ' ' TRP . 34.7 mtm -75.68 -31.25 59.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -88.09 -34.03 18.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.881 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.2 -44.02 52.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.431 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 10.9 pt20 -49.08 -43.9 41.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.431 ' N ' ' HG3' ' A' ' 69' ' ' GLN . 14.8 mt -58.51 -53.77 54.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 72.0 p -58.48 -44.52 89.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.14 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.7 t -78.01 105.16 9.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.3 m -71.29 144.31 50.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.134 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.37 168.71 11.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -155.66 135.92 4.82 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.501 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 59.6 p -142.32 169.89 16.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.915 0.388 . . . . 0.0 110.815 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -99.7 -174.26 30.83 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.504 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.08 98.77 0.04 OUTLIER 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.73 2.287 . . . . 0.0 112.292 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.6 m -63.77 157.78 23.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 26.5 p -76.75 125.13 28.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.841 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.494 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t -55.69 158.13 3.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.846 0.355 . . . . 0.0 110.872 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.7 p -162.68 147.02 11.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.9 -177.28 16.04 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.498 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.0 p -113.06 123.48 50.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.893 0.378 . . . . 0.0 110.876 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.4 t -150.89 171.96 16.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.3 -77.28 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.507 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.567 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.5 pp -90.96 -178.2 5.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.882 0.373 . . . . 0.0 110.893 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.504 ' O ' ' N ' ' A' ' 11' ' ' GLY . 9.0 t -105.44 146.61 29.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.71 HG12 HD12 ' A' ' 14' ' ' LEU . 27.6 t -37.95 -26.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -75.47 -49.95 8.71 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.508 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.487 ' H ' HG23 ' A' ' 9' ' ' THR . 0.8 OUTLIER -50.43 -57.48 7.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.749 0.309 . . . . 0.0 110.857 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.707 ' CZ3' HG11 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -58.33 -60.54 3.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.937 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.71 HD12 HG12 ' A' ' 10' ' ' VAL . 30.7 mt -47.04 -40.52 14.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -52.93 -40.24 63.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.6 t -51.48 -44.03 62.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.531 HD12 ' HB3' ' A' ' 58' ' ' LYS . 30.9 pt -96.0 14.53 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.07 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.8 mmt85 57.83 39.7 26.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.436 ' CG ' HG13 ' A' ' 17' ' ' ILE . 31.2 mmt -118.51 -0.82 11.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.469 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -50.52 -17.88 2.2 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.482 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.545 ' NH1' ' CE1' ' A' ' 22' ' ' TYR . 8.4 ptm180 -61.4 -25.56 67.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.838 0.351 . . . . 0.0 110.918 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.786 ' CE2' HG23 ' A' ' 50' ' ' ILE . 16.4 m-85 -90.54 -13.07 35.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.944 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.455 ' C ' ' O ' ' A' ' 22' ' ' TYR . 17.9 ttt180 -33.7 -65.64 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 23' ' ' ARG . 0.5 OUTLIER -36.35 -41.78 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.574 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 16.9 m-70 -56.71 -58.85 6.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.819 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.662 ' CG ' HD13 ' A' ' 48' ' ' LEU . 37.2 m-85 -43.83 -50.06 8.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.93 -31.34 39.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.9 -38.29 37.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.464 ' HA3' ' CD2' ' A' ' 48' ' ' LEU . . . -74.15 2.87 41.73 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.539 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.83 18.69 33.83 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.504 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.707 ' CE2' ' CG ' ' A' ' 40' ' ' MET . 62.0 m-85 -121.22 100.17 6.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.892 0.377 . . . . 0.0 110.942 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.9 t -111.32 11.34 21.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.825 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.611 ' O ' HG23 ' A' ' 37' ' ' VAL . 11.1 m -155.01 173.14 17.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.598 ' O ' HD23 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -79.63 -37.94 34.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -39.53 -35.57 0.56 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.66 -36.16 12.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.707 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 77.7 t -58.7 -37.81 67.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.598 HD23 ' O ' ' A' ' 34' ' ' LEU . 4.3 mm? -59.38 -22.33 61.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.7 ptp85 -108.55 19.95 19.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.707 ' CG ' ' CE2' ' A' ' 31' ' ' TYR . 23.2 mtp -95.28 160.7 14.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.479 ' O ' ' N ' ' A' ' 44' ' ' ASP . 22.1 m-80 -151.17 171.64 17.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.864 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.716 ' HA ' HD11 ' A' ' 60' ' ' LEU . . . -35.25 -49.95 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.056 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -53.55 -42.93 68.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 41' ' ' ASN . 20.5 m-20 -77.15 -54.39 6.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.555 HG21 ' CD2' ' A' ' 60' ' ' LEU . 94.2 t -50.07 -53.69 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.168 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -47.6 -46.01 27.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.67 -36.15 61.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.155 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.662 HD13 ' CG ' ' A' ' 26' ' ' PHE . 20.4 mt -64.34 -27.74 69.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.411 ' O ' HG23 ' A' ' 51' ' ' THR . . . 129.03 -31.41 3.49 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.478 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.786 HG23 ' CE2' ' A' ' 22' ' ' TYR . 2.2 mp -64.46 104.08 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.912 0.387 . . . . 0.0 111.152 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.465 ' HA ' ' CD ' ' A' ' 56' ' ' GLN . 43.2 p -119.89 -29.7 4.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 53' ' ' MET . 4.9 mp -49.91 108.11 0.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.403 ' C ' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -37.81 -56.23 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -42.82 -38.51 3.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.53 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 58' ' ' LYS . 11.6 m170 -92.35 -59.31 2.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.748 0.309 . . . . 0.0 110.855 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.465 ' CD ' ' HA ' ' A' ' 51' ' ' THR . 10.5 mt-30 -36.42 -41.24 0.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.2 mmtm -62.06 -44.06 97.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.531 ' HB3' HD12 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -58.08 -67.04 0.38 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.885 179.88 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.662 HD12 HG21 ' A' ' 50' ' ' ILE . 89.5 mt -49.06 -65.68 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.174 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.716 HD11 ' HA ' ' A' ' 42' ' ' ALA . 58.3 mt -51.24 -59.0 4.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -56.29 -26.36 50.42 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.476 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.6 t -79.0 -26.95 43.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.911 0.386 . . . . 0.0 110.927 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.4 ' O ' ' HG2' ' A' ' 67' ' ' ARG . 89.3 mt -81.46 -55.39 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.164 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -43.04 -36.23 1.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.3 t -84.05 -30.12 26.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.118 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.482 ' HB3' HD11 ' A' ' 38' ' ' LEU . 5.6 mtm -68.26 -32.59 72.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.876 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.417 ' CA ' HD12 ' A' ' 38' ' ' LEU . 2.6 ptm180 -88.74 -33.21 17.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -45.06 -42.68 8.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.059 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.462 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 7.7 pt20 -66.24 -38.99 89.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.951 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.462 ' N ' ' HG3' ' A' ' 69' ' ' GLN . 21.4 mt -58.46 -12.45 3.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 40.6 p -144.38 100.04 3.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.126 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.692 ' O ' HG22 ' A' ' 73' ' ' THR . 1.1 t 69.97 -169.99 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.692 HG22 ' O ' ' A' ' 72' ' ' SER . 9.0 t 47.51 18.92 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.4 ' N ' ' C ' ' A' ' 72' ' ' SER . 8.4 pt20 -55.9 167.42 0.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 168.61 -42.03 0.22 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.458 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.0 m -67.89 -59.36 3.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.914 0.387 . . . . 0.0 110.867 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 83.74 81.49 1.0 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.462 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.11 177.85 0.05 OUTLIER 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.739 2.293 . . . . 0.0 112.33 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 69.8 m -144.87 114.25 7.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 40.7 t -107.73 134.92 50.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 -179.975 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 t -158.76 152.03 22.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 0.0 110.838 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -147.53 134.02 19.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.82 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.65 -120.01 3.29 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.501 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.7 t -86.98 159.17 19.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 0.0 110.852 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.8 m -80.85 -46.44 15.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.99 -36.14 0.56 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.54 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.5 pp -109.12 -179.37 3.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.914 0.387 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 11' ' ' GLY . 8.8 t -107.04 150.6 26.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.142 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.73 HG12 HD12 ' A' ' 14' ' ' LEU . 55.1 t -40.73 -24.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -77.97 -50.37 6.43 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.471 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.462 ' H ' HG23 ' A' ' 9' ' ' THR . 5.7 m-20 -49.92 -57.05 8.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.815 0.34 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.623 ' CZ3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -58.56 -64.02 1.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.73 HD12 HG12 ' A' ' 10' ' ' VAL . 51.5 mt -44.68 -42.57 7.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.938 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -52.3 -38.32 58.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.892 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.7 t -53.12 -44.84 68.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.57 HD12 ' HB3' ' A' ' 58' ' ' LYS . 11.7 pt -93.87 6.96 6.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.453 ' C ' ' SD ' ' A' ' 19' ' ' MET . 16.0 mtp-105 67.42 32.45 5.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.453 ' SD ' ' C ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -110.25 -2.32 16.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.48 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -50.12 -23.75 6.03 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -57.01 -23.0 43.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.817 0.341 . . . . 0.0 110.851 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.547 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 35.0 m-85 -95.22 -11.54 27.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 22' ' ' TYR . 14.0 ttt180 -36.35 -61.64 0.5 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.552 ' OD1' ' CD2' ' A' ' 25' ' ' HIS . 3.3 p30 -38.62 -39.94 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.552 ' CD2' ' OD1' ' A' ' 24' ' ' ASP . 16.5 m-70 -59.12 -59.92 4.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.576 ' CG ' ' CD1' ' A' ' 48' ' ' LEU . 25.7 m-85 -43.56 -47.72 7.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.72 -33.85 56.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.076 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.99 -39.11 56.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.083 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.04 4.7 22.57 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.488 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.04 19.55 36.07 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.47 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.7 ' CE2' ' CG ' ' A' ' 40' ' ' MET . 86.8 m-85 -121.7 106.2 11.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.856 0.36 . . . . 0.0 110.915 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 97.1 p -114.87 -14.0 11.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.41 ' O ' HG23 ' A' ' 37' ' ' VAL . 3.0 m -127.39 171.34 11.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.491 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.4 OUTLIER -77.91 -37.31 48.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.949 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -41.82 -46.15 4.87 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.463 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.17 -40.37 27.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 0.0 110.884 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.623 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 30.6 t -54.23 -44.35 64.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.168 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.454 ' CD2' ' HB3' ' A' ' 66' ' ' MET . 33.5 mt -58.54 -15.65 12.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.7 mtt180 -107.75 19.73 19.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.7 ' CG ' ' CE2' ' A' ' 31' ' ' TYR . 28.1 mtp -100.56 174.11 6.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.469 ' O ' ' N ' ' A' ' 44' ' ' ASP . 69.1 m-80 -161.95 168.38 22.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.459 ' C ' ' O ' ' A' ' 41' ' ' ASN . . . -32.9 -44.59 0.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -56.66 -49.36 75.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 41' ' ' ASN . 64.7 m-20 -73.54 -48.81 30.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.585 HG11 ' CD1' ' A' ' 60' ' ' LEU . 96.7 t -52.41 -56.06 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -46.55 -45.33 18.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.18 -38.06 56.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.133 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.576 ' CD1' ' CG ' ' A' ' 26' ' ' PHE . 26.5 mt -63.47 -24.76 67.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.499 ' O ' HG23 ' A' ' 51' ' ' THR . . . 121.61 -30.43 5.35 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.516 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.905 HG21 HD12 ' A' ' 59' ' ' ILE . 3.3 mp -63.46 100.06 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.91 0.386 . . . . 0.0 111.12 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.499 HG23 ' O ' ' A' ' 49' ' ' GLY . 29.0 p -119.97 -20.71 7.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.464 HD22 ' H ' ' A' ' 52' ' ' LEU . 3.7 mm? -50.01 113.57 0.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -43.29 -43.48 4.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.41 ' O ' ' HD2' ' A' ' 58' ' ' LYS . . . -62.93 -30.53 77.61 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.517 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 56' ' ' GLN . 14.8 m170 -91.83 -63.71 1.21 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.738 0.304 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.49 ' NE2' ' HA ' ' A' ' 51' ' ' THR . 17.1 mt-30 -36.27 -47.17 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -53.72 -48.17 69.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.57 ' HB3' HD12 ' A' ' 17' ' ' ILE . 0.3 OUTLIER -58.19 -64.91 0.75 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.89 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.905 HD12 HG21 ' A' ' 50' ' ' ILE . 80.1 mt -50.54 -61.99 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.165 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.585 ' CD1' HG11 ' A' ' 45' ' ' VAL . 10.7 mp -52.42 -58.49 6.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.27 -29.11 59.71 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.2 t -76.04 -28.3 57.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.359 . . . . 0.0 110.871 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 66' ' ' MET . 91.3 mt -83.41 -54.66 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.147 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.466 ' HA ' ' NE ' ' A' ' 67' ' ' ARG . 4.8 pt20 -40.75 -39.38 1.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.8 t -81.14 -31.57 34.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.454 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 11.0 mtm -71.57 -29.93 65.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.466 ' NE ' ' HA ' ' A' ' 64' ' ' GLN . 23.4 ptt85 -91.8 -36.32 13.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.81 -40.77 56.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.45 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 8.3 pt20 -58.53 -37.92 76.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.45 ' N ' ' HG3' ' A' ' 69' ' ' GLN . 71.2 mt -46.48 -59.73 2.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 69.1 p -52.87 -45.63 67.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.106 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 68.8 m -53.42 153.41 4.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.815 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.5 t -80.82 -40.02 25.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.123 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -76.03 139.06 41.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 115.18 -87.55 0.44 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.514 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 97.3 p 50.27 41.43 24.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.9 0.381 . . . . 0.0 110.844 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 50.98 -177.57 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.507 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.14 159.04 4.42 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.719 2.28 . . . . 0.0 112.32 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.4 t -57.96 -53.04 62.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.832 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 68.6 p -93.1 122.41 35.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.88 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.485 -179.992 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.7 m -121.47 156.42 32.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.903 0.382 . . . . 0.0 110.852 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.9 m -126.41 108.93 11.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.76 -135.14 3.3 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.464 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.0 p -87.66 129.52 35.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.88 0.371 . . . . 0.0 110.873 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.0 m -54.9 -56.88 14.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.879 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.16 64.14 3.55 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.488 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.575 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.4 pp -114.73 -177.72 3.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.915 0.388 . . . . 0.0 110.914 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 11' ' ' GLY . 9.6 t -107.95 147.28 31.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.66 HG12 HD12 ' A' ' 14' ' ' LEU . 42.5 t -38.09 -27.77 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.098 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -74.59 -47.27 16.13 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.434 ' H ' HG23 ' A' ' 9' ' ' THR . 3.2 m-20 -52.58 -63.51 1.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.766 0.317 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.578 ' CZ3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -51.91 -61.83 2.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.66 HD12 HG12 ' A' ' 10' ' ' VAL . 48.3 mt -46.56 -48.51 19.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.939 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -50.07 -41.51 48.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.8 t -52.16 -48.85 64.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.602 HD12 ' HB3' ' A' ' 58' ' ' LYS . 37.9 pt -87.16 17.06 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.162 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 70.2 mtt180 59.74 35.63 22.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.846 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 32.1 mmt -119.62 -1.39 10.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -51.03 -21.09 5.02 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -61.8 -27.5 68.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.8 0.333 . . . . 0.0 110.886 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.586 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 30.6 m-85 -86.69 -10.28 54.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.961 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.488 ' CD ' HG12 ' A' ' 10' ' ' VAL . 8.1 tpt180 -39.04 -59.81 0.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.863 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -40.02 -36.55 0.49 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.586 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 13.5 m-70 -62.64 -59.32 5.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.625 ' CG ' ' CD1' ' A' ' 48' ' ' LEU . 26.4 m-85 -46.69 -46.76 20.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.51 -34.51 67.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.116 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.82 -33.69 66.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.087 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.88 -0.96 83.5 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.493 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.26 14.47 41.69 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.426 ' CD1' ' SD ' ' A' ' 40' ' ' MET . 93.0 m-85 -114.73 110.14 19.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.863 0.363 . . . . 0.0 110.948 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.0 t -119.36 -14.23 9.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.836 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.431 ' O ' HG23 ' A' ' 37' ' ' VAL . 9.5 m -119.08 167.17 12.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.501 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -78.54 -42.97 27.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.946 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -46.26 -45.62 15.88 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.518 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.411 ' SD ' ' HA ' ' A' ' 31' ' ' TYR . 20.0 ptp -77.26 -23.84 51.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.358 . . . . 0.0 110.87 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.578 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 5.9 t -75.92 -31.23 21.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.085 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.8 mp -66.38 -27.9 68.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.0 ptt180 -91.63 17.14 9.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.462 ' HE3' ' CB ' ' A' ' 44' ' ' ASP . 36.6 mtp -93.56 172.55 8.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' ' 44' ' ' ASP . 37.7 m-80 -154.32 166.28 33.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.509 ' HA ' HD11 ' A' ' 60' ' ' LEU . . . -37.16 -38.97 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.066 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -61.49 -46.14 91.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.462 ' CB ' ' HE3' ' A' ' 40' ' ' MET . 2.4 m-20 -72.41 -57.85 3.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.409 ' CG2' ' HE2' ' A' ' 40' ' ' MET . 42.4 t -51.0 -52.37 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.884 ' HD2' HG22 ' A' ' 51' ' ' THR . 14.1 tpt180 -48.56 -40.88 28.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.848 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.99 -33.7 72.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.625 ' CD1' ' CG ' ' A' ' 26' ' ' PHE . 39.3 mt -62.21 -22.43 65.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.589 ' O ' HG23 ' A' ' 51' ' ' THR . . . 122.61 -31.0 4.96 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.531 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.759 ' H ' HD12 ' A' ' 50' ' ' ILE . 2.5 mp -67.13 101.07 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.917 0.389 . . . . 0.0 111.135 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.884 HG22 ' HD2' ' A' ' 46' ' ' ARG . 1.6 p -118.15 -28.51 5.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.169 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.7 mp -50.5 113.64 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 27.6 mmt -42.95 -49.91 5.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.404 ' O ' ' HD2' ' A' ' 58' ' ' LYS . . . -48.89 -32.8 11.99 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.54 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.489 ' O ' ' N ' ' A' ' 58' ' ' LYS . 14.5 m170 -97.53 -61.17 1.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.787 0.327 . . . . 0.0 110.872 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.449 ' CD ' ' HA ' ' A' ' 51' ' ' THR . 11.9 mt-30 -36.25 -34.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 55' ' ' HIS . 72.5 mttt -67.34 -45.65 75.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.602 ' HB3' HD12 ' A' ' 17' ' ' ILE . 0.5 OUTLIER -58.29 -64.78 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.916 179.845 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.659 HD12 HG21 ' A' ' 50' ' ' ILE . 84.2 mt -47.75 -69.14 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.509 HD11 ' HA ' ' A' ' 42' ' ' ALA . 11.5 mt -54.44 -58.99 5.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -49.68 -31.8 16.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.645 ' O ' HG22 ' A' ' 65' ' ' THR . 10.4 t -79.73 -29.99 40.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 0.0 110.863 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' A' ' 66' ' ' MET . 96.2 mt -73.92 -54.47 14.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -41.13 -33.49 0.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.645 HG22 ' O ' ' A' ' 62' ' ' SER . 15.4 t -86.71 -29.3 22.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.493 ' N ' ' O ' ' A' ' 63' ' ' ILE . 26.3 mtm -65.89 -33.83 76.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.478 ' CZ ' ' HB2' ' A' ' 67' ' ' ARG . 0.4 OUTLIER -87.19 -38.68 16.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.852 -179.923 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -40.81 -40.09 1.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.462 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 18.1 pt20 -51.65 -44.11 62.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 72' ' ' SER . 12.0 mt -47.58 -34.53 7.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.429 HG22 ' O ' ' A' ' 69' ' ' GLN . 10.0 t 37.13 28.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 70' ' ' LEU . 36.9 m -88.94 162.47 16.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.829 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 30.6 m -61.16 126.68 28.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.12 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -110.32 177.15 4.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -102.28 -76.18 1.15 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.531 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.4 t -58.75 153.35 16.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.973 0.416 . . . . 0.0 110.817 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -89.78 151.08 21.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.515 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 79' ' ' SER . 53.5 Cg_exo -52.05 -25.24 21.94 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.766 2.311 . . . . 0.0 112.314 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 78' ' ' PRO . 7.5 t -35.47 -63.31 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 87.8 p -94.93 110.41 22.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.523 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.3 p -98.99 -31.03 12.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.864 0.364 . . . . 0.0 110.833 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.7 m -97.35 -58.76 1.93 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.65 65.92 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.516 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.6 p -82.49 130.47 35.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.873 0.368 . . . . 0.0 110.885 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.2 p -115.19 164.41 14.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.853 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.55 61.26 0.39 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.463 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.55 HD13 ' H ' ' A' ' 13' ' ' TRP . 4.7 pp -109.52 -178.01 3.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.975 0.417 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.567 HG23 ' H ' ' A' ' 12' ' ' ASP . 15.1 t -103.97 148.09 26.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.724 HG22 HG21 ' A' ' 37' ' ' VAL . 24.5 t -41.17 -32.65 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.45 -49.95 35.05 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.535 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.567 ' H ' HG23 ' A' ' 9' ' ' THR . 3.1 m-20 -50.22 -62.82 1.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.706 ' CZ3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -51.33 -62.43 1.62 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.627 HD12 HG12 ' A' ' 10' ' ' VAL . 47.6 mt -46.41 -45.59 18.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.874 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -47.56 -43.76 25.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.833 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.9 t -50.92 -44.36 60.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.604 HD13 ' CB ' ' A' ' 62' ' ' SER . 29.5 pt -93.95 16.39 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 70.1 mtm180 58.77 34.02 23.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.449 ' CG ' HG13 ' A' ' 17' ' ' ILE . 30.6 mmt -114.01 -1.99 13.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.474 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -48.95 -24.96 4.8 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.434 ' NH1' ' HB3' ' A' ' 21' ' ' ARG . 2.9 ptp180 -58.07 -31.27 66.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.779 0.324 . . . . 0.0 110.853 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.558 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 37.0 m-85 -87.09 -9.98 54.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -45.92 -42.72 13.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.842 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -55.15 -32.34 62.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.558 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 10.5 m-70 -66.65 -56.12 12.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.827 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.568 ' CD1' HD13 ' A' ' 48' ' ' LEU . 27.8 m-85 -45.01 -44.83 10.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.865 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.76 -32.17 63.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.068 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.83 -35.4 60.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.122 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.36 3.45 62.68 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.507 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.33 22.27 27.45 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.501 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.623 ' CE2' ' CG ' ' A' ' 40' ' ' MET . 95.8 m-85 -121.09 103.78 9.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.871 0.367 . . . . 0.0 110.865 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.8 t -109.74 -12.86 14.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.484 ' O ' HG23 ' A' ' 37' ' ' VAL . 5.8 m -131.47 172.94 11.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.553 ' O ' HD23 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -77.6 -36.54 51.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -40.93 -40.1 2.17 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.463 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.495 ' HB2' ' CD2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -87.64 -29.91 20.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.78 0.324 . . . . 0.0 110.886 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.724 HG21 HG22 ' A' ' 10' ' ' VAL . 53.8 t -66.17 -36.57 77.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.887 HD12 ' HB3' ' A' ' 67' ' ' ARG . 4.5 mm? -64.19 -24.01 67.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -102.11 20.04 17.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.623 ' CG ' ' CE2' ' A' ' 31' ' ' TYR . 63.8 mtp -98.93 174.02 6.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.88 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 42' ' ' ALA . 70.4 m-80 -157.99 167.28 30.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 41' ' ' ASN . . . -37.46 -37.39 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.093 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -59.9 -49.59 77.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -72.86 -49.41 30.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.561 HG21 ' CD2' ' A' ' 60' ' ' LEU . 57.9 t -55.46 -54.12 28.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.932 ' HD2' HG22 ' A' ' 51' ' ' THR . 14.0 tpt180 -48.35 -39.05 20.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.46 -35.08 78.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.568 HD13 ' CD1' ' A' ' 26' ' ' PHE . 69.6 mt -60.43 -25.33 65.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.482 ' O ' HG23 ' A' ' 51' ' ' THR . . . 125.8 -29.32 4.71 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.753 ' H ' HD12 ' A' ' 50' ' ' ILE . 2.4 mp -65.75 101.1 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.901 0.381 . . . . 0.0 111.128 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.932 HG22 ' HD2' ' A' ' 46' ' ' ARG . 23.3 p -115.93 -26.97 7.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.167 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.5 mt -50.1 110.73 0.42 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 10.9 mmt -41.15 -48.67 3.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.498 ' O ' ' CD ' ' A' ' 58' ' ' LYS . . . -49.81 -38.57 30.38 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.509 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.498 ' O ' ' N ' ' A' ' 57' ' ' LYS . 10.6 m170 -91.24 -59.64 2.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.763 0.316 . . . . 0.0 110.868 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.505 ' CG ' ' O ' ' A' ' 50' ' ' ILE . 12.0 mt-30 -37.82 -27.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 55' ' ' HIS . 27.5 mttp -77.02 -45.25 27.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.498 ' CD ' ' O ' ' A' ' 54' ' ' GLY . 0.5 OUTLIER -60.15 -61.78 2.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.896 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.734 HD12 HG21 ' A' ' 50' ' ' ILE . 96.3 mt -47.0 -62.61 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.119 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.561 ' CD2' HG21 ' A' ' 45' ' ' VAL . 4.6 mm? -57.66 -58.18 9.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.939 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.38 -26.97 31.65 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.497 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.604 ' CB ' HD13 ' A' ' 17' ' ' ILE . 22.9 t -80.9 -25.21 37.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.803 0.335 . . . . 0.0 110.853 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 85.2 mt -83.82 -50.59 15.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -47.62 -37.47 12.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.9 t -79.99 -31.48 39.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.17 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.586 ' HB3' HD11 ' A' ' 38' ' ' LEU . 18.3 mtm -67.88 -31.95 72.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.887 ' HB3' HD12 ' A' ' 38' ' ' LEU . 3.2 ptm180 -93.78 -34.91 13.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -49.72 -40.15 39.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.096 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.465 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 11.5 pt20 -59.27 -38.09 79.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.465 ' N ' ' HG3' ' A' ' 69' ' ' GLN . 43.1 mt -41.37 -41.11 1.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.61 ' O ' HG23 ' A' ' 71' ' ' THR . 7.2 t -151.92 100.1 2.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.5 t -143.35 143.8 31.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.1 m -79.33 103.43 9.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.151 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -138.92 157.9 45.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.952 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 160.19 -42.5 0.44 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.527 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.1 m -43.02 -47.36 5.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.903 0.383 . . . . 0.0 110.86 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 161.73 92.67 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.494 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.0 -18.69 7.35 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.788 2.326 . . . . 0.0 112.317 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 34.3 t 62.35 42.21 9.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 89.9 p -106.8 117.86 35.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.868 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.451 179.976 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.6 m 62.67 42.62 8.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.869 0.366 . . . . 0.0 110.814 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.5 p -110.21 102.03 10.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.787 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.96 120.3 1.07 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.508 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -100.28 168.48 9.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.373 . . . . 0.0 110.847 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.4 p -82.38 148.09 28.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.79 75.52 1.03 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.449 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.582 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.4 pp -107.38 -178.9 3.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.968 0.413 . . . . 0.0 110.88 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 11' ' ' GLY . 10.1 t -107.79 148.01 30.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.201 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.796 HG12 HD12 ' A' ' 14' ' ' LEU . 70.6 t -37.33 -27.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.095 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -73.68 -53.87 7.03 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.517 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.447 ' H ' HG23 ' A' ' 9' ' ' THR . 5.0 m-20 -46.53 -62.7 1.25 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.784 0.326 . . . . 0.0 110.869 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.678 ' CZ3' HG11 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -52.85 -63.19 1.23 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.944 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.796 HD12 HG12 ' A' ' 10' ' ' VAL . 53.2 mt -46.27 -34.95 4.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -59.27 -36.05 74.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.0 m -58.22 -41.64 84.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.412 HD11 HD23 ' A' ' 14' ' ' LEU . 19.4 pt -92.36 16.62 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.111 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 55.66 35.01 24.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.812 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 43.5 mmm -119.41 1.61 11.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.12 -18.23 2.03 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.494 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -60.53 -27.33 67.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.845 0.355 . . . . 0.0 110.874 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.582 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 37.6 m-85 -91.41 -9.09 46.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.429 ' CG ' ' N ' ' A' ' 24' ' ' ASP . 21.6 ptt-85 -44.91 -44.94 10.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.821 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.429 ' N ' ' CG ' ' A' ' 23' ' ' ARG . 57.4 m-20 -54.51 -32.74 58.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.582 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 10.8 m-70 -65.5 -51.65 58.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.586 ' CD1' HD13 ' A' ' 48' ' ' LEU . 20.9 m-85 -46.96 -47.2 21.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.9 -28.18 61.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.081 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.99 -35.01 32.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.06 6.36 56.53 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.515 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.06 16.26 51.38 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.504 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.595 ' CD2' ' SD ' ' A' ' 40' ' ' MET . 78.9 m-85 -121.92 100.76 7.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.939 0.4 . . . . 0.0 110.911 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.2 t -114.9 9.68 16.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.898 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.627 ' O ' HG23 ' A' ' 37' ' ' VAL . 8.4 m -146.13 168.2 21.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.805 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.481 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -77.69 -45.21 25.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.951 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -42.88 -30.95 1.07 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.479 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.452 ' H ' ' HG2' ' A' ' 36' ' ' MET . 7.5 ptp -95.02 -20.5 19.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.329 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.678 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 38.0 t -77.07 -36.46 24.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.134 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.557 HD12 ' HB3' ' A' ' 67' ' ' ARG . 3.9 mm? -61.02 -20.5 62.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.5 ptt85 -105.13 16.17 26.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.595 ' SD ' ' CD2' ' A' ' 31' ' ' TYR . 26.3 mtp -94.77 166.36 12.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -154.66 173.55 16.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.526 ' N ' HD21 ' A' ' 60' ' ' LEU . . . -40.46 -45.09 2.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.081 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -51.86 -51.73 54.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -72.34 -52.96 13.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 87.8 t -47.98 -55.52 2.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -42.96 -46.28 5.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.15 -35.7 65.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.124 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.586 HD13 ' CD1' ' A' ' 26' ' ' PHE . 21.3 mt -58.89 -29.07 66.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 122.27 -22.67 7.43 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.76 ' H ' HD12 ' A' ' 50' ' ' ILE . 2.5 mp -72.67 103.21 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.952 0.406 . . . . 0.0 111.115 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.481 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 58.2 p -118.3 -22.14 7.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.137 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 53' ' ' MET . 4.6 mm? -50.06 108.39 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.443 ' C ' ' O ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -34.71 -48.77 0.39 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.477 ' O ' ' CD ' ' A' ' 58' ' ' LYS . . . -57.05 -51.79 55.23 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.516 ' CD2' ' N ' ' A' ' 55' ' ' HIS . 3.2 m170 -70.21 -57.87 4.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.769 0.318 . . . . 0.0 110.85 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.481 ' NE2' ' HA ' ' A' ' 51' ' ' THR . 13.2 mt-30 -42.43 -37.63 1.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.972 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -67.38 -41.96 84.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.477 ' CD ' ' O ' ' A' ' 54' ' ' GLY . 0.0 OUTLIER -59.52 -60.36 3.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.843 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.415 HD12 HG21 ' A' ' 50' ' ' ILE . 68.9 mt -55.46 -62.72 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.526 HD21 ' N ' ' A' ' 42' ' ' ALA . 30.4 mt -54.95 -59.92 4.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.928 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -48.97 -35.7 18.74 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.473 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.476 ' O ' ' CG2' ' A' ' 65' ' ' THR . 9.7 t -70.16 -39.02 75.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.36 . . . . 0.0 110.882 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 88.2 mt -72.03 -57.75 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.569 ' O ' ' HB2' ' A' ' 68' ' ' ALA . 5.0 pt20 -39.9 -31.57 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.476 ' CG2' ' O ' ' A' ' 62' ' ' SER . 7.8 t -90.67 -41.06 11.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 12.4 mtm -57.97 -32.78 68.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.557 ' HB3' HD12 ' A' ' 38' ' ' LEU . 3.0 ptm180 -93.43 -37.02 12.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.866 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.569 ' HB2' ' O ' ' A' ' 64' ' ' GLN . . . -52.96 -25.43 11.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 70' ' ' LEU . 5.5 pt20 -80.18 -30.83 38.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 69' ' ' GLN . 51.7 mt -36.76 -46.58 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 72.0 p -147.32 99.98 3.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.1 m -106.43 162.32 13.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.841 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 67.3 p -86.9 153.19 21.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.142 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 62.79 -170.03 0.18 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -96.55 -77.22 1.35 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 t -93.36 18.71 9.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.924 0.392 . . . . 0.0 110.851 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -59.85 -160.51 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.497 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.11 93.83 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.336 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.8 t -109.93 144.84 37.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.5 m -103.87 126.28 50.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.509 -179.983 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.5 p -102.36 166.98 10.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.891 0.377 . . . . 0.0 110.863 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.7 m 67.6 41.9 2.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.26 -116.4 0.49 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.504 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.7 p -90.58 147.99 22.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.876 0.37 . . . . 0.0 110.857 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.7 p -112.14 159.35 18.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.77 60.26 0.14 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.542 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.5 pp -119.71 -178.13 3.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.939 0.399 . . . . 0.0 110.893 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 11' ' ' GLY . 13.5 t -105.07 148.76 26.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.121 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.752 HG12 HD12 ' A' ' 14' ' ' LEU . 54.2 t -40.98 -23.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -78.18 -47.75 8.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.445 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.444 ' H ' HG23 ' A' ' 9' ' ' THR . 3.4 m-20 -52.72 -57.58 9.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.781 0.324 . . . . 0.0 110.839 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.557 ' CZ3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -57.12 -61.95 2.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.962 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.752 HD12 HG12 ' A' ' 10' ' ' VAL . 51.0 mt -47.1 -47.53 23.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -49.51 -42.83 44.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.0 t -51.6 -42.34 61.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.953 HG21 ' OG ' ' A' ' 62' ' ' SER . 37.3 pt -94.71 13.87 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.126 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 62.41 36.22 14.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.421 ' C ' ' HB3' ' A' ' 14' ' ' LEU . 31.2 mmt -119.84 -3.81 10.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.496 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -49.09 -26.19 5.99 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.48 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -56.15 -30.21 61.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.791 0.329 . . . . 0.0 110.863 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.587 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 39.6 m-85 -85.14 -11.75 54.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.1 ttt180 -38.9 -59.47 0.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -40.26 -37.0 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.587 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 14.5 m-70 -61.92 -60.06 4.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.575 ' CD2' HD11 ' A' ' 48' ' ' LEU . 30.8 m-85 -45.69 -45.13 14.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.1 -31.59 52.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.116 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.26 -41.36 41.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.078 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.2 0.64 15.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.531 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.12 17.83 36.02 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.472 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.632 ' CE1' ' CG ' ' A' ' 40' ' ' MET . 79.9 m-85 -119.18 111.12 17.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.893 0.378 . . . . 0.0 110.923 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 87.7 p -120.04 -9.86 9.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.44 ' O ' HG23 ' A' ' 37' ' ' VAL . 6.4 p -123.94 171.27 9.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.522 HD11 ' CB ' ' A' ' 13' ' ' TRP . 0.3 OUTLIER -81.63 -41.98 20.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -46.87 -46.04 19.2 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.516 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.405 ' SD ' ' HA ' ' A' ' 31' ' ' TYR . 12.9 ptp -77.5 -22.87 50.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 110.896 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.557 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 4.8 t -76.69 -34.09 22.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.534 ' HA ' HG23 ' A' ' 63' ' ' ILE . 2.2 mp -62.13 -25.63 67.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.4 mmm180 -88.0 -16.41 33.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.632 ' CG ' ' CE1' ' A' ' 31' ' ' TYR . 59.5 mtp -63.44 177.76 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.458 ' CG ' ' O ' ' A' ' 40' ' ' MET . 76.1 m-20 -164.31 167.99 19.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' ' 46' ' ' ARG . . . -38.14 -45.85 0.98 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -54.19 -43.82 71.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 41' ' ' ASN . 74.5 m-20 -78.02 -52.8 8.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.511 HG11 ' CD2' ' A' ' 60' ' ' LEU . 54.2 t -50.25 -52.93 13.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.105 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.462 ' HG2' HG22 ' A' ' 51' ' ' THR . 4.2 tmm_? -44.72 -45.94 10.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.21 -36.57 63.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.096 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.575 HD11 ' CD2' ' A' ' 26' ' ' PHE . 23.1 mt -58.59 -28.04 65.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 123.45 -25.17 6.34 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.78 ' H ' HD12 ' A' ' 50' ' ' ILE . 2.4 mp -70.73 100.82 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.922 0.391 . . . . 0.0 111.13 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.462 HG22 ' HG2' ' A' ' 46' ' ' ARG . 48.4 p -117.28 -26.29 6.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.4 mt -51.26 112.67 0.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -42.08 -47.95 4.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.403 ' O ' ' HD2' ' A' ' 58' ' ' LYS . . . -50.84 -34.87 30.46 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.494 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.421 ' O ' ' N ' ' A' ' 58' ' ' LYS . 24.6 m170 -94.82 -61.29 1.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.77 0.319 . . . . 0.0 110.851 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.499 ' CG ' ' O ' ' A' ' 50' ' ' ILE . 11.6 mt-30 -37.09 -39.36 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.435 ' HB3' ' NZ ' ' A' ' 58' ' ' LYS . 27.3 mttm -62.89 -48.59 78.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.471 ' HB3' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -56.9 -65.27 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.894 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.609 HD12 HG21 ' A' ' 50' ' ' ILE . 84.2 mt -46.95 -68.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.511 ' CD2' HG11 ' A' ' 45' ' ' VAL . 4.6 mm? -52.46 -58.37 6.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.891 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -50.21 -31.1 18.86 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.441 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.953 ' OG ' HG21 ' A' ' 17' ' ' ILE . 49.3 m -77.35 -32.36 55.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.863 0.363 . . . . 0.0 110.886 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.534 HG23 ' HA ' ' A' ' 38' ' ' LEU . 96.2 mt -73.73 -54.5 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.139 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -42.2 -33.2 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.512 HG22 ' O ' ' A' ' 62' ' ' SER . 8.8 t -87.56 -36.66 17.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.48 ' SD ' HD12 ' A' ' 34' ' ' LEU . 24.3 mtm -59.74 -36.74 77.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -82.92 -32.4 27.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -48.19 -39.75 21.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.441 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 14.8 pt20 -49.26 -37.6 24.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.441 ' N ' ' HG3' ' A' ' 69' ' ' GLN . 11.6 mt -55.93 -53.83 52.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 43.0 p -72.03 -34.07 68.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.128 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 37.7 m 63.21 -170.01 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.488 ' O ' HG22 ' A' ' 73' ' ' THR . 9.1 m 50.01 40.36 21.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.12 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -91.14 -60.69 1.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -88.55 -171.45 46.19 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.3 m -50.86 171.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.882 0.372 . . . . 0.0 110.859 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -47.53 105.33 0.11 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.473 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.03 -14.36 2.49 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.728 2.285 . . . . 0.0 112.312 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.2 t -150.89 136.52 17.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.9 t -91.34 143.66 26.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.519 179.979 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 t -82.94 -53.27 5.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.923 0.392 . . . . 0.0 110.903 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -154.5 130.85 10.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.82 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.83 164.93 34.5 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.473 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.5 m -93.15 150.0 20.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 0.0 110.852 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.2 m 60.27 42.19 15.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.0 38.69 0.42 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.527 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.632 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.2 pp -123.45 -179.52 4.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.922 0.391 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.53 ' O ' ' N ' ' A' ' 11' ' ' GLY . 5.0 t -106.53 147.09 29.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.165 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.787 HG12 HD12 ' A' ' 14' ' ' LEU . 76.4 t -35.04 -29.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.125 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.53 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -71.81 -46.8 35.9 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.523 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.47 ' HB3' HD13 ' A' ' 8' ' ' LEU . 1.5 t70 -53.6 -65.29 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.775 0.321 . . . . 0.0 110.869 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.584 ' CE3' ' HG ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -49.58 -58.88 4.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.787 HD12 HG12 ' A' ' 10' ' ' VAL . 51.4 mt -49.79 -45.26 49.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -50.79 -41.74 57.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.823 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.7 t -51.13 -44.79 61.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.471 HD12 ' HB3' ' A' ' 58' ' ' LYS . 41.2 pt -93.47 15.27 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.152 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 59.86 36.65 21.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 31.5 mmt -118.46 -0.91 11.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.433 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -49.72 -23.96 5.46 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.524 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -57.21 -28.79 63.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.34 . . . . 0.0 110.884 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.592 ' CD1' HG13 ' A' ' 50' ' ' ILE . 35.9 m-85 -90.32 -9.32 48.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.478 ' CG ' ' N ' ' A' ' 24' ' ' ASP . 11.2 ptm180 -42.77 -48.73 5.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.478 ' N ' ' CG ' ' A' ' 23' ' ' ARG . 1.2 t70 -51.49 -35.14 38.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.582 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 12.4 m-70 -62.31 -57.77 10.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.614 ' CG ' HD13 ' A' ' 48' ' ' LEU . 25.7 m-85 -45.18 -47.38 12.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.889 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.41 -34.87 69.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.061 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.2 -34.38 72.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.31 6.82 66.41 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.447 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.77 18.01 42.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.447 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.593 ' CE1' ' SD ' ' A' ' 40' ' ' MET . 84.4 m-85 -122.55 107.44 12.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.902 0.382 . . . . 0.0 110.901 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.0 t -119.82 -12.61 9.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.806 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.465 ' O ' HG23 ' A' ' 37' ' ' VAL . 4.2 m -116.56 167.9 10.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.496 HD11 ' CB ' ' A' ' 13' ' ' TRP . 0.3 OUTLIER -79.38 -42.5 25.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.885 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -48.36 -43.49 26.99 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.475 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.1 ptp -79.44 -26.14 41.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.843 0.354 . . . . 0.0 110.905 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.56 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 3.4 t -70.98 -35.4 59.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.534 HD23 HD22 ' A' ' 70' ' ' LEU . 2.5 mp -59.68 -21.06 60.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.831 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.23 -17.56 28.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.593 ' SD ' ' CE1' ' A' ' 31' ' ' TYR . 13.0 mmm -56.34 176.29 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.462 ' O ' ' C ' ' A' ' 42' ' ' ALA . 0.8 OUTLIER -170.24 158.97 7.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.462 ' C ' ' O ' ' A' ' 41' ' ' ASN . . . -32.29 -48.65 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.073 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -56.08 -49.43 73.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.848 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 41' ' ' ASN . 54.4 m-20 -73.33 -56.5 4.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.414 ' N ' ' HE3' ' A' ' 40' ' ' MET . 58.4 t -43.32 -53.09 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -44.15 -46.19 8.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.47 -38.17 66.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.062 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.614 HD13 ' CG ' ' A' ' 26' ' ' PHE . 39.8 mt -58.59 -26.22 63.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 123.13 -26.79 6.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.477 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 1.013 HG21 HD12 ' A' ' 59' ' ' ILE . 2.9 mp -70.33 101.22 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.87 0.367 . . . . 0.0 111.094 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.493 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 36.4 p -119.07 -27.28 5.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.4 mt -50.68 116.29 1.87 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.463 ' HA ' ' CE ' ' A' ' 53' ' ' MET . 26.6 mmt -43.9 -48.38 8.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -52.82 -30.55 36.61 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.494 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.471 ' O ' ' N ' ' A' ' 58' ' ' LYS . 23.1 m170 -96.87 -63.24 1.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.721 0.296 . . . . 0.0 110.871 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.645 ' O ' HD13 ' A' ' 60' ' ' LEU . 14.5 mt-30 -36.78 -46.21 0.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.933 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -59.7 -42.9 94.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.471 ' HB3' HD12 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -65.28 -60.61 2.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.916 179.852 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 1.013 HD12 HG21 ' A' ' 50' ' ' ILE . 65.8 mt -51.09 -51.1 22.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.108 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.645 HD13 ' O ' ' A' ' 56' ' ' GLN . 11.0 mp -64.23 -57.36 9.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -54.92 -30.62 54.0 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.461 ' HB2' HG21 ' A' ' 17' ' ' ILE . 23.3 t -73.77 -29.0 61.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.352 . . . . 0.0 110.813 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.431 HG23 ' HA ' ' A' ' 38' ' ' LEU . 58.2 mt -81.13 -48.92 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.122 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.408 ' HG3' ' N ' ' A' ' 65' ' ' THR . 1.0 OUTLIER -45.05 -30.97 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.444 HG22 ' O ' ' A' ' 62' ' ' SER . 14.9 t -89.47 -27.0 20.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.467 ' SD ' ' CD1' ' A' ' 34' ' ' LEU . 28.1 mtm -70.13 -34.62 73.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.534 ' HA ' HD13 ' A' ' 70' ' ' LEU . 3.3 ptt180 -87.53 -27.64 22.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.23 -44.28 61.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.651 ' HG3' HD12 ' A' ' 70' ' ' LEU . 18.9 pt20 -62.99 -43.6 98.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.948 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.651 HD12 ' HG3' ' A' ' 69' ' ' GLN . 8.7 mp -52.47 -53.46 45.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 66.8 p -82.9 18.23 1.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.148 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.6 m 53.73 -170.15 0.05 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.3 t -88.86 8.64 28.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.189 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -48.61 -56.66 7.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -53.16 101.17 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.509 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.9 t -86.01 -50.99 6.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.912 0.386 . . . . 0.0 110.88 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 133.07 158.44 8.79 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.503 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.04 -39.34 70.18 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.769 2.313 . . . . 0.0 112.296 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 49.0 p -105.82 145.45 31.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.819 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 74.8 p -90.21 107.46 19.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.86 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.494 -179.962 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -72.68 -48.66 37.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.885 0.374 . . . . 0.0 110.868 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.2 t -119.4 107.98 14.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.11 85.85 1.54 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.507 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.0 t -95.84 136.64 36.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.927 0.394 . . . . 0.0 110.817 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 7' ' ' GLY . 24.9 p -60.28 147.66 39.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.834 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 37.44 88.18 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.506 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.572 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.5 pp -119.68 -179.73 3.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.899 0.381 . . . . 0.0 110.877 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 11' ' ' GLY . 8.8 t -106.32 147.75 28.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.136 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.664 HG12 HD12 ' A' ' 14' ' ' LEU . 49.9 t -38.22 -27.13 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -74.09 -48.38 15.65 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.503 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.95 -63.92 0.98 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.837 0.351 . . . . 0.0 110.857 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.609 ' CD1' ' SD ' ' A' ' 66' ' ' MET . 0.0 OUTLIER -51.22 -61.72 2.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.664 HD12 HG12 ' A' ' 10' ' ' VAL . 44.2 mt -46.53 -47.42 19.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -51.4 -38.81 55.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.1 t -52.99 -44.98 67.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.598 HD12 ' HB3' ' A' ' 58' ' ' LYS . 28.5 pt -91.98 15.13 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.14 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 63.94 31.12 13.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.435 ' CG ' HG13 ' A' ' 17' ' ' ILE . 33.5 mmt -116.32 0.38 12.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.402 ' HA2' ' CB ' ' A' ' 14' ' ' LEU . . . -52.63 -14.33 2.43 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.462 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -68.06 -27.03 66.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.807 0.337 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.576 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 36.7 m-85 -90.65 -8.18 50.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.482 ' CG ' ' N ' ' A' ' 24' ' ' ASP . 6.3 ptp180 -43.03 -48.55 6.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.482 ' N ' ' CG ' ' A' ' 23' ' ' ARG . 0.9 OUTLIER -51.87 -34.23 39.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.576 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 12.2 m-70 -63.77 -53.84 44.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.619 ' CG ' ' CD1' ' A' ' 48' ' ' LEU . 30.8 m-85 -48.12 -49.57 31.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.59 -26.8 45.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.09 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.9 -33.61 34.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.149 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -83.51 11.52 55.54 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.22 14.93 58.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.519 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.67 ' CE2' ' CG ' ' A' ' 40' ' ' MET . 67.4 m-85 -122.31 100.16 6.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.849 0.357 . . . . 0.0 110.923 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.4 t -112.14 -12.38 13.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.848 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.575 ' O ' HG23 ' A' ' 37' ' ' VAL . 14.6 m -122.27 172.38 8.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.853 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.492 ' HG ' ' CD1' ' A' ' 8' ' ' LEU . 0.4 OUTLIER -79.13 -41.62 28.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.911 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -44.77 -43.9 8.35 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.507 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.9 ptp -81.67 -14.8 56.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.839 0.352 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.598 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 24.8 t -83.71 -35.97 11.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.617 HD12 ' CA ' ' A' ' 67' ' ' ARG . 3.4 mm? -65.84 -17.87 64.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.18 3.87 33.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.67 ' CG ' ' CE2' ' A' ' 31' ' ' TYR . 45.2 mtp -78.37 -178.75 5.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.48 ' O ' ' N ' ' A' ' 44' ' ' ASP . 0.4 OUTLIER -166.75 163.52 16.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.432 ' HA ' HD11 ' A' ' 60' ' ' LEU . . . -35.53 -46.15 0.39 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.057 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.6 tp60 -54.41 -43.98 71.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 41' ' ' ASN . 75.7 m-20 -77.74 -51.25 10.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.3 t -51.83 -54.28 13.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.553 ' HG2' HG22 ' A' ' 51' ' ' THR . 4.9 tmm_? -46.18 -43.75 15.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.68 -32.7 63.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.619 ' CD1' ' CG ' ' A' ' 26' ' ' PHE . 24.5 mt -64.8 -24.51 67.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 121.08 -28.37 6.11 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.51 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.793 HG21 HD12 ' A' ' 59' ' ' ILE . 2.4 mp -67.6 100.14 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.888 0.375 . . . . 0.0 111.099 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.553 HG22 ' HG2' ' A' ' 46' ' ' ARG . 82.5 p -118.91 -23.94 6.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.158 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 55' ' ' HIS . 2.5 mt -49.97 108.18 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 38.4 mmt -40.22 -46.83 2.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.402 ' O ' ' HD2' ' A' ' 58' ' ' LYS . . . -53.92 -36.6 56.07 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.529 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.487 ' O ' ' N ' ' A' ' 58' ' ' LYS . 19.7 m170 -92.28 -59.07 2.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.725 0.298 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.48 ' NE2' ' HA ' ' A' ' 51' ' ' THR . 10.5 mt-30 -35.92 -41.61 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 43.3 mttt -58.86 -44.9 91.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.598 ' HB3' HD12 ' A' ' 17' ' ' ILE . 0.5 OUTLIER -58.84 -64.03 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.955 179.834 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.793 HD12 HG21 ' A' ' 50' ' ' ILE . 67.9 mt -52.04 -65.24 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.143 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.432 HD11 ' HA ' ' A' ' 42' ' ' ALA . 28.1 mt -55.47 -56.52 19.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.408 ' O ' ' HG3' ' A' ' 64' ' ' GLN . . . -47.69 -46.12 24.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.45 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.651 ' O ' HG22 ' A' ' 65' ' ' THR . 3.2 t -63.51 -49.58 72.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.818 0.342 . . . . 0.0 110.847 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.534 ' O ' ' N ' ' A' ' 66' ' ' MET . 96.6 mt -58.12 -60.08 2.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.132 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.468 ' HG3' ' N ' ' A' ' 65' ' ' THR . 0.6 OUTLIER -32.32 -37.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.651 HG22 ' O ' ' A' ' 62' ' ' SER . 9.8 t -98.58 -30.08 12.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.981 ' O ' HD23 ' A' ' 70' ' ' LEU . 2.2 ttp -63.38 -20.38 65.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.617 ' CA ' HD12 ' A' ' 38' ' ' LEU . 1.7 ptm180 -94.24 -37.72 11.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -44.61 -47.25 10.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.687 ' HG3' HD22 ' A' ' 70' ' ' LEU . 8.9 pt20 -72.72 -37.47 67.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.981 HD23 ' O ' ' A' ' 66' ' ' MET . 4.1 mm? -64.87 179.29 0.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 38.6 p 50.28 29.7 3.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.185 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.5 m -98.42 155.14 17.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.44 HG23 ' N ' ' A' ' 74' ' ' GLN . 9.1 t -66.14 -43.11 88.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.161 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.44 ' N ' HG23 ' A' ' 73' ' ' THR . 33.0 tt0 -91.33 142.4 27.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 147.46 66.77 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 11.0 m -84.99 -41.81 15.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.845 0.355 . . . . 0.0 110.849 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 98.5 76.57 1.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.05 120.98 8.01 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.763 2.309 . . . . 0.0 112.311 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 33.2 t 52.42 47.2 25.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.4 t -99.71 124.08 44.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.82 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.485 179.996 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.4 p -94.29 176.12 6.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.86 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.6 t -141.65 129.5 21.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.61 -59.46 0.69 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.533 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.6 m -96.3 134.37 39.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.954 0.407 . . . . 0.0 110.822 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.4 t -115.57 -39.87 3.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.78 50.21 2.95 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.457 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.611 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.4 pp -88.53 -179.28 6.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.941 0.4 . . . . 0.0 110.895 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 11' ' ' GLY . 9.8 t -106.95 146.58 30.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.179 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.845 HG12 HD12 ' A' ' 14' ' ' LEU . 69.2 t -35.91 -30.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.111 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -70.48 -52.19 17.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.424 ' H ' HG23 ' A' ' 9' ' ' THR . 7.4 m-20 -47.91 -65.29 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.815 0.341 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.796 ' CZ3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -51.5 -59.9 3.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.845 HD12 HG12 ' A' ' 10' ' ' VAL . 41.7 mt -49.51 -35.28 19.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -59.75 -39.71 85.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.1 t -55.29 -42.35 73.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.636 HG21 ' HB2' ' A' ' 62' ' ' SER . 19.4 pt -89.58 14.62 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.115 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.5 mmt85 57.65 30.12 18.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.466 ' HE2' ' HB3' ' A' ' 55' ' ' HIS . 26.4 mmm -115.04 4.02 14.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -51.34 -17.79 3.02 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.462 ' CZ ' ' HB2' ' A' ' 21' ' ' ARG . 2.4 ptm85 -62.48 -25.09 67.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.822 0.344 . . . . 0.0 110.863 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.598 ' CD1' HG13 ' A' ' 50' ' ' ILE . 29.1 m-85 -93.63 -10.15 35.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.481 ' CG ' ' N ' ' A' ' 24' ' ' ASP . 19.7 ptt-85 -42.53 -48.62 5.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.838 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.481 ' N ' ' CG ' ' A' ' 23' ' ' ARG . 8.2 p-10 -52.84 -34.5 54.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.595 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 11.6 m-70 -62.16 -56.38 19.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.653 ' CD1' ' CD1' ' A' ' 48' ' ' LEU . 16.0 m-85 -44.9 -47.11 11.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.825 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.13 -32.57 62.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.47 -36.29 60.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.59 7.02 51.11 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.517 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.47 20.34 38.28 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.521 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.576 ' CZ ' ' SD ' ' A' ' 40' ' ' MET . 86.2 m-85 -122.48 100.07 6.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.906 0.384 . . . . 0.0 110.868 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.0 m -115.45 8.47 15.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.74 ' O ' HG23 ' A' ' 37' ' ' VAL . 11.1 m -146.12 168.41 21.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.854 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.559 ' O ' HD23 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -78.18 -45.36 23.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -43.4 -31.41 1.54 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.429 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.413 ' O ' ' CG ' ' A' ' 39' ' ' ARG . 6.9 ptp -95.11 -24.2 16.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.843 0.354 . . . . 0.0 110.852 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.796 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 40.1 t -71.73 -40.34 69.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.154 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.559 HD23 ' O ' ' A' ' 34' ' ' LEU . 2.4 mm? -53.38 -24.82 13.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.413 ' CG ' ' O ' ' A' ' 36' ' ' MET . 3.7 ptp180 -96.23 19.94 11.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.585 ' HE2' ' CE2' ' A' ' 26' ' ' PHE . 21.8 mmm -86.63 169.56 12.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' A' ' 40' ' ' MET . 39.8 m-80 -162.45 162.5 27.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 41' ' ' ASN . . . -36.46 -42.65 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -59.83 -51.46 69.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -69.52 -55.0 11.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.5 t -48.72 -56.0 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.1 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.636 ' CD ' HG22 ' A' ' 51' ' ' THR . 22.5 tpt85 -48.42 -45.2 35.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.85 -36.17 62.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.065 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.653 ' CD1' ' CD1' ' A' ' 26' ' ' PHE . 24.4 mt -61.21 -22.32 64.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.953 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.657 ' O ' HG23 ' A' ' 51' ' ' THR . . . 122.42 -30.64 5.11 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.462 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.742 ' H ' HD12 ' A' ' 50' ' ' ILE . 2.2 mp -63.99 102.25 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.925 0.393 . . . . 0.0 111.114 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.657 HG23 ' O ' ' A' ' 49' ' ' GLY . 1.0 OUTLIER -117.57 -25.96 6.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.561 HD22 ' H ' ' A' ' 52' ' ' LEU . 3.4 mm? -50.04 109.86 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 31.8 mmt -40.12 -51.73 2.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.411 ' O ' ' HD3' ' A' ' 58' ' ' LYS . . . -52.24 -34.34 40.27 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.524 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.517 ' O ' ' N ' ' A' ' 58' ' ' LYS . 5.7 m170 -90.96 -61.81 1.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.76 0.314 . . . . 0.0 110.847 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.503 ' CG ' ' O ' ' A' ' 50' ' ' ILE . 16.4 mt-30 -36.46 -33.68 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 55' ' ' HIS . 7.8 mtpm? -69.26 -43.97 72.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.517 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -56.97 -63.62 1.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.893 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.679 HD12 HG21 ' A' ' 50' ' ' ILE . 61.7 mt -52.83 -62.8 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.101 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 51.9 mt -53.01 -60.49 3.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.45 -30.43 41.33 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.636 ' HB2' HG21 ' A' ' 17' ' ' ILE . 22.6 t -73.54 -30.22 62.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.814 0.34 . . . . 0.0 110.844 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 79.5 mt -81.4 -54.58 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.131 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.555 ' O ' ' HB2' ' A' ' 68' ' ' ALA . 5.2 pt20 -42.11 -42.06 2.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.7 t -78.8 -32.56 46.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 8.2 mtm -68.79 -32.88 72.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.492 ' HB3' HD12 ' A' ' 38' ' ' LEU . 2.8 ptt180 -94.49 -30.52 14.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.876 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.555 ' HB2' ' O ' ' A' ' 64' ' ' GLN . . . -53.11 -41.42 64.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.465 ' HG3' HD22 ' A' ' 70' ' ' LEU . 10.4 pt20 -61.39 -44.27 97.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.479 ' HA ' HD13 ' A' ' 70' ' ' LEU . 3.0 mm? -51.01 -60.05 3.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.5 t -62.4 -40.77 97.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.713 ' O ' HG22 ' A' ' 73' ' ' THR . 1.9 t -50.18 162.69 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.713 HG22 ' O ' ' A' ' 72' ' ' SER . 9.7 t 48.31 18.08 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.166 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -150.73 146.91 26.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.61 159.4 2.22 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.487 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 46.3 t -161.77 105.84 1.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.892 0.377 . . . . 0.0 110.873 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -136.96 -156.04 7.2 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.466 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.05 144.05 38.63 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.673 2.249 . . . . 0.0 112.339 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 86.5 p -78.21 113.31 16.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.0 m -119.25 111.19 17.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.847 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.524 179.977 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.3 p 50.21 41.78 24.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.857 0.36 . . . . 0.0 110.862 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.3 p -48.92 -43.31 39.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.844 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.75 -149.08 31.14 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.458 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 t -96.13 153.63 17.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.913 0.387 . . . . 0.0 110.839 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 t -49.12 -69.94 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.882 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.6 -52.37 0.14 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.49 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.538 HD12 ' HB3' ' A' ' 12' ' ' ASP . 0.4 OUTLIER -86.07 178.64 7.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.957 0.408 . . . . 0.0 110.907 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.645 HG23 ' H ' ' A' ' 12' ' ' ASP . 8.8 t -93.6 150.69 20.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.712 HG12 HD12 ' A' ' 14' ' ' LEU . 70.4 t -43.88 -38.04 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.074 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.477 ' N ' ' HG3' ' A' ' 23' ' ' ARG . . . -65.77 -42.74 95.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.493 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.645 ' H ' HG23 ' A' ' 9' ' ' THR . 2.0 m-20 -58.34 -59.42 5.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.814 0.34 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.607 ' CE3' ' HG ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -54.73 -52.66 61.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.712 HD12 HG12 ' A' ' 10' ' ' VAL . 32.9 mt -55.28 -52.88 62.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -44.71 -43.19 8.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.8 t -51.28 -46.15 62.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.825 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.63 HG21 ' OG ' ' A' ' 62' ' ' SER . 42.0 pt -90.44 14.9 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.078 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 62.9 34.66 14.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.429 ' C ' ' HB3' ' A' ' 14' ' ' LEU . 30.3 mmt -119.96 -0.22 10.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.455 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -52.6 -17.34 4.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.9 ptp180 -66.28 -21.02 66.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.778 0.323 . . . . 0.0 110.871 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.596 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 44.1 m-85 -92.64 -12.64 31.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.477 ' HG3' ' N ' ' A' ' 11' ' ' GLY . 16.3 ttt-85 -34.52 -61.7 0.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -41.45 -40.71 1.85 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.596 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 16.2 m-70 -57.46 -60.96 2.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.599 ' CD2' HD11 ' A' ' 48' ' ' LEU . 29.5 m-85 -44.95 -50.1 10.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.29 -31.5 61.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.077 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.78 -35.9 57.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.099 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.21 5.46 59.45 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.491 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.62 20.07 35.71 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.467 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.643 ' CE2' ' CG ' ' A' ' 40' ' ' MET . 24.8 m-85 -122.02 106.49 11.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.906 0.384 . . . . 0.0 110.912 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 83.5 p -115.91 -11.32 11.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.852 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.44 173.47 10.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.517 ' HG ' ' CD2' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -74.34 -43.05 58.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -42.59 -50.85 5.71 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.518 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -31.06 64.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.836 0.35 . . . . 0.0 110.848 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.422 HG11 ' CH2' ' A' ' 13' ' ' TRP . 12.6 t -72.3 -26.1 24.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.472 HD13 ' O ' ' A' ' 34' ' ' LEU . 4.8 mp -74.81 -24.27 58.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.434 ' NH1' ' HB3' ' A' ' 39' ' ' ARG . 1.8 ptp180 -96.99 18.08 15.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.897 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.643 ' CG ' ' CE2' ' A' ' 31' ' ' TYR . 67.3 mtp -95.74 -179.79 4.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.495 ' O ' ' N ' ' A' ' 43' ' ' GLN . 0.6 OUTLIER -168.22 164.05 13.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.48 ' HA ' HD11 ' A' ' 60' ' ' LEU . . . -32.91 -34.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 41' ' ' ASN . 77.1 mm-40 -64.29 -53.58 46.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 41' ' ' ASN . 47.8 m-20 -69.31 -58.61 3.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.4 t -45.04 -53.12 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -47.21 -38.69 12.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.9 -35.76 81.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.599 HD11 ' CD2' ' A' ' 26' ' ' PHE . 37.6 mt -58.71 -24.58 61.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 121.36 -24.05 7.41 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.76 ' H ' HD12 ' A' ' 50' ' ' ILE . 2.0 mp -74.11 100.37 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.922 0.391 . . . . 0.0 111.157 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.45 ' HA ' ' CD ' ' A' ' 56' ' ' GLN . 1.1 p -116.23 -24.39 8.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 mp -50.65 109.9 0.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.437 ' O ' ' CG ' ' A' ' 57' ' ' LYS . 10.4 mmm -41.94 -45.04 3.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.11 -35.65 54.95 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.501 ' O ' ' N ' ' A' ' 58' ' ' LYS . 25.5 m170 -94.26 -59.54 1.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.777 0.323 . . . . 0.0 110.861 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.497 ' CG ' ' O ' ' A' ' 50' ' ' ILE . 11.1 mt-30 -36.33 -34.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 53' ' ' MET . 10.3 mmmt -67.84 -44.95 76.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.2 OUTLIER -58.91 -61.17 2.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 179.801 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.624 HD12 HG21 ' A' ' 50' ' ' ILE . 67.3 mt -51.3 -63.29 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.48 HD11 ' HA ' ' A' ' 42' ' ' ALA . 15.6 mt -55.12 -59.27 5.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -47.83 -40.35 18.81 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.446 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.63 ' OG ' HG21 ' A' ' 17' ' ' ILE . 19.9 m -71.71 -33.02 68.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.853 0.359 . . . . 0.0 110.838 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.48 ' O ' ' N ' ' A' ' 66' ' ' MET . 81.7 mt -72.62 -54.3 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.149 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.457 ' HG3' ' N ' ' A' ' 65' ' ' THR . 1.7 pp0? -42.24 -34.52 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.915 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.628 HG22 ' O ' ' A' ' 62' ' ' SER . 13.9 t -87.2 -25.66 23.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.113 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.601 ' SD ' ' CD1' ' A' ' 13' ' ' TRP . 12.4 mtp -77.22 -31.83 55.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.422 ' CA ' ' HG ' ' A' ' 38' ' ' LEU . 5.1 ptm180 -85.62 -31.0 22.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.97 -36.72 65.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.076 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -50.89 -34.73 29.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 30.1 mt -60.93 -69.48 0.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.466 HG23 ' N ' ' A' ' 72' ' ' SER . 7.0 t -57.07 -45.61 83.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.466 ' N ' HG23 ' A' ' 71' ' ' THR . 22.9 t -50.66 153.03 1.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.828 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 56.1 m -57.77 -56.09 26.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.161 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -92.97 138.72 31.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 122.0 39.71 0.55 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.469 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 t -99.39 -58.77 1.86 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.932 0.396 . . . . 0.0 110.863 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 125.15 150.89 7.89 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.549 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.12 -39.28 71.17 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.73 2.287 . . . . 0.0 112.327 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 24.3 p -155.9 174.36 15.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 40.5 t -84.7 127.35 34.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.824 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.496 179.982 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.3 p -104.37 157.29 17.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.909 0.385 . . . . 0.0 110.85 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.7 m -115.16 110.35 19.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.06 -61.22 1.42 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.506 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -112.02 127.19 55.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.838 0.351 . . . . 0.0 110.865 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 t -101.73 114.14 27.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.76 98.91 2.16 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.538 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.541 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.5 pp -111.57 -178.69 3.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.933 0.396 . . . . 0.0 110.907 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 11' ' ' GLY . 13.6 t -105.04 148.51 26.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.793 HG12 HD12 ' A' ' 14' ' ' LEU . 75.6 t -40.4 -24.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.109 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -77.3 -48.4 8.24 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.546 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.432 ' H ' HG23 ' A' ' 9' ' ' THR . 6.6 m-20 -52.12 -57.66 8.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.8 0.333 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.624 ' CZ3' HG11 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -57.82 -61.14 2.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.793 HD12 HG12 ' A' ' 10' ' ' VAL . 39.4 mt -46.89 -44.88 20.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -49.3 -44.87 44.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.0 t -51.33 -45.6 62.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.481 HG21 ' OG ' ' A' ' 62' ' ' SER . 34.6 pt -89.54 12.55 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.9 mmp_? 59.99 36.69 21.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.477 ' HG3' ' CD1' ' A' ' 17' ' ' ILE . 31.3 mmt -118.94 -1.81 10.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.844 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.471 ' N ' ' HB3' ' A' ' 14' ' ' LEU . . . -50.91 -19.55 3.58 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -61.42 -26.66 68.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.35 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.586 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 29.2 m-85 -90.43 -10.53 43.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 22' ' ' TYR . 7.8 ttt-85 -36.41 -60.09 0.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -42.14 -39.35 1.97 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.586 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 15.1 m-70 -58.72 -60.87 3.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.568 ' CD1' HD13 ' A' ' 48' ' ' LEU . 21.5 m-85 -46.08 -48.13 17.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.99 -34.6 60.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.1 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.33 -39.34 65.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.09 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.53 2.1 40.6 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.471 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.26 19.08 31.48 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.468 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.536 ' CD1' ' SD ' ' A' ' 40' ' ' MET . 72.2 m-85 -122.4 102.05 7.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.877 0.37 . . . . 0.0 110.908 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.0 t -113.8 -11.6 12.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.476 ' O ' HG23 ' A' ' 37' ' ' VAL . 13.9 m -120.33 167.32 12.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.502 HD11 ' CB ' ' A' ' 13' ' ' TRP . 0.3 OUTLIER -76.92 -45.26 28.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.94 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -44.18 -46.36 8.14 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 6.7 ptp -75.75 -29.89 59.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.815 0.34 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.624 HG11 ' CZ3' ' A' ' 13' ' ' TRP . 11.1 t -69.34 -30.71 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.631 HD21 HD12 ' A' ' 70' ' ' LEU . 5.4 mp -67.87 -23.01 65.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.4 ptp85 -96.29 15.24 21.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.536 ' SD ' ' CD1' ' A' ' 31' ' ' TYR . 58.0 mtp -97.61 164.86 12.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.872 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 42' ' ' ALA . 1.7 m-80 -149.58 167.56 26.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 41' ' ' ASN . . . -36.04 -47.19 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.102 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -50.7 -48.55 58.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -73.57 -56.06 5.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.007 HG21 ' CD2' ' A' ' 60' ' ' LEU . 70.3 t -46.68 -54.68 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -43.09 -46.48 5.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.62 -34.33 64.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.568 HD13 ' CD1' ' A' ' 26' ' ' PHE . 48.5 mt -60.52 -25.78 66.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 122.2 -27.85 5.99 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.47 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.742 ' H ' HD12 ' A' ' 50' ' ' ILE . 2.0 mp -70.82 104.65 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.865 0.365 . . . . 0.0 111.123 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.476 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 81.2 p -119.97 -17.31 8.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.532 ' O ' ' C ' ' A' ' 53' ' ' MET . 5.3 mp -50.06 99.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.532 ' C ' ' O ' ' A' ' 52' ' ' LEU . 19.8 mmt -27.54 -54.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.445 ' O ' ' HG2' ' A' ' 58' ' ' LYS . . . -51.44 -62.86 5.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.47 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.49 ' O ' ' N ' ' A' ' 58' ' ' LYS . 44.9 m170 -61.09 -52.94 62.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.761 0.315 . . . . 0.0 110.839 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.476 ' NE2' ' HA ' ' A' ' 51' ' ' THR . 7.9 mt-30 -43.56 -30.64 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -79.52 -31.32 42.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -67.09 -55.43 14.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 179.844 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.416 HG21 ' HZ ' ' A' ' 26' ' ' PHE . 88.6 mt -58.42 -61.32 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.087 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 1.007 ' CD2' HG21 ' A' ' 45' ' ' VAL . 4.0 mm? -58.92 -60.67 3.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.426 ' O ' HG22 ' A' ' 65' ' ' THR . . . -41.5 -37.91 1.95 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.448 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.481 ' OG ' HG21 ' A' ' 17' ' ' ILE . 68.3 m -78.93 -28.24 43.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.86 0.362 . . . . 0.0 110.849 -179.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.556 HG23 ' HA ' ' A' ' 38' ' ' LEU . 68.5 mt -74.64 -50.25 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.186 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.427 ' HG2' ' N ' ' A' ' 65' ' ' THR . 3.2 pt20 -49.37 -41.63 39.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.427 ' N ' ' HG2' ' A' ' 64' ' ' GLN . 3.8 t -82.73 -36.44 25.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.527 ' O ' HD12 ' A' ' 70' ' ' LEU . 9.4 mtp -54.79 -39.02 68.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' ' 63' ' ' ILE . 3.3 ptm180 -84.83 -35.98 21.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.62 -41.93 64.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.087 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -78.84 -39.72 34.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.631 HD12 HD21 ' A' ' 38' ' ' LEU . 22.6 mt -78.55 -179.58 6.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 49.7 p -119.52 -38.28 3.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.173 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.4 m 60.62 42.59 13.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 92.5 m -93.45 106.62 18.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.127 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -90.08 -50.26 6.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 131.6 -46.45 1.07 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.1 m -80.49 148.56 30.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 0.0 110.823 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -132.41 -167.28 11.75 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.508 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.08 -177.09 0.02 OUTLIER 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.731 2.288 . . . . 0.0 112.307 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 49.9 m -150.3 101.63 3.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 28.2 t -119.66 109.07 15.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.847 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.484 -179.986 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 t 61.4 40.63 13.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.859 0.361 . . . . 0.0 110.85 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 t -136.16 127.54 28.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.846 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.98 63.91 1.99 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.3 p -65.35 135.82 55.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.903 0.382 . . . . 0.0 110.854 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.4 p -101.88 152.79 20.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.874 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.02 44.73 4.06 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.583 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.4 pp -118.69 -176.09 3.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.909 0.385 . . . . 0.0 110.904 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.522 ' O ' ' N ' ' A' ' 11' ' ' GLY . 8.8 t -110.79 148.51 32.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.161 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.676 HG12 HD12 ' A' ' 14' ' ' LEU . 55.0 t -36.02 -28.24 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.16 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 9' ' ' THR . . . -74.17 -49.28 12.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.494 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.437 ' CB ' ' HB2' ' A' ' 8' ' ' LEU . 4.1 t0 -49.87 -65.16 0.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 110.879 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.564 ' H ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -50.72 -62.14 1.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.947 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.676 HD12 HG12 ' A' ' 10' ' ' VAL . 54.2 mt -47.55 -39.69 17.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -53.48 -39.69 64.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.4 m -56.87 -37.23 71.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.832 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.607 HD11 HD23 ' A' ' 14' ' ' LEU . 15.5 pt -97.13 14.37 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.124 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? 54.86 28.85 10.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.417 ' HG2' ' CG1' ' A' ' 17' ' ' ILE . 23.1 mmm -110.61 5.18 20.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -51.63 -18.6 4.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.523 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.435 ' NH1' ' HB2' ' A' ' 21' ' ' ARG . 0.5 OUTLIER -62.02 -20.41 63.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 110.843 -179.883 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.589 ' HA ' ' CD2' ' A' ' 25' ' ' HIS . 41.5 m-85 -94.67 -11.01 30.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.987 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.418 ' HG3' HG12 ' A' ' 10' ' ' VAL . 17.8 ttt180 -41.52 -55.0 3.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.84 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -44.59 -34.87 2.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.589 ' CD2' ' HA ' ' A' ' 22' ' ' TYR . 12.9 m-70 -64.08 -60.8 2.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.512 ' CD2' HD11 ' A' ' 48' ' ' LEU . 33.2 m-85 -45.57 -43.43 12.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.86 -30.82 66.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.082 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.01 -40.71 53.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.93 1.8 29.46 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.454 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.74 22.57 20.68 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.612 ' CE1' ' SD ' ' A' ' 40' ' ' MET . 94.6 m-85 -119.76 105.51 11.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.91 0.386 . . . . 0.0 110.916 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.6 t -112.43 -11.38 13.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.846 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.549 ' O ' HG23 ' A' ' 37' ' ' VAL . 67.2 m -132.99 172.25 12.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.837 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.496 ' HG ' HD11 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -76.88 -34.79 57.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -44.62 -47.34 8.98 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.423 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.7 -33.48 40.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.842 0.353 . . . . 0.0 110.869 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 33' ' ' SER . 27.3 t -56.47 -34.14 40.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.678 HD13 HG23 ' A' ' 63' ' ' ILE . 2.1 mm? -76.66 -0.53 23.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.959 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -103.58 -18.58 14.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.612 ' SD ' ' CE1' ' A' ' 31' ' ' TYR . 0.4 OUTLIER -93.9 174.5 7.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.915 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.461 ' O ' ' C ' ' A' ' 42' ' ' ALA . 55.8 t30 -160.69 -179.98 8.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.461 ' C ' ' O ' ' A' ' 41' ' ' ASN . . . -33.01 -39.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.081 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 41' ' ' ASN . 41.8 mt-30 -58.33 -54.08 51.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 41' ' ' ASN . 54.1 m-20 -74.77 -45.14 45.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.664 HG21 HD21 ' A' ' 60' ' ' LEU . 59.3 t -50.28 -54.36 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.081 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 2.6 tmm_? -42.75 -42.24 3.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.95 -34.87 75.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.061 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.612 HD11 ' HE1' ' A' ' 40' ' ' MET . 73.6 mt -58.53 -29.75 66.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 122.66 -17.54 8.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.745 ' H ' HD12 ' A' ' 50' ' ' ILE . 2.8 mp -79.61 102.97 6.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.859 0.361 . . . . 0.0 111.16 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.492 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 72.9 p -119.91 -21.85 6.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 55' ' ' HIS . 2.7 mp -49.97 103.64 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.455 ' C ' ' O ' ' A' ' 52' ' ' LEU . 30.0 mmt -33.52 -53.48 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -51.05 -42.79 48.88 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.474 ' N ' ' O ' ' A' ' 52' ' ' LEU . 12.9 m170 -81.79 -60.5 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.775 0.321 . . . . 0.0 110.846 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.492 ' NE2' ' HA ' ' A' ' 51' ' ' THR . 12.8 mt-30 -36.56 -34.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -68.88 -47.28 66.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.472 ' N ' ' HD2' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -56.32 -63.14 1.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 179.875 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.691 HD12 HG21 ' A' ' 50' ' ' ILE . 91.0 mt -49.62 -70.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.123 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.664 HD21 HG21 ' A' ' 45' ' ' VAL . 3.6 mm? -52.84 -60.2 3.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -40.32 -36.65 0.98 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.526 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.575 ' O ' HG22 ' A' ' 65' ' ' THR . 1.5 m -78.07 -36.72 47.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 0.0 110.845 -179.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.678 HG23 HD13 ' A' ' 38' ' ' LEU . 67.0 mt -65.65 -51.95 56.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.157 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -49.76 -39.54 38.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.575 HG22 ' O ' ' A' ' 62' ' ' SER . 10.4 t -82.67 -24.5 33.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.511 ' HB3' HD11 ' A' ' 38' ' ' LEU . 18.0 mtm -72.81 -29.21 63.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.516 ' HB3' HD12 ' A' ' 38' ' ' LEU . 5.4 ptt85 -89.52 -36.92 15.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -48.46 -44.39 35.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -56.23 -30.52 62.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 22.9 mt -84.05 -56.9 3.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.6 p -46.58 -44.05 17.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.164 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 56.8 m -68.39 110.15 3.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 75.5 p -110.81 167.55 10.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.115 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -37.85 -43.87 0.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 138.37 -104.59 0.45 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.439 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.9 m 57.53 42.79 23.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 110.853 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.23 95.22 1.08 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.473 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.1 118.92 5.03 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.753 2.302 . . . . 0.0 112.273 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 34.4 t -117.95 110.92 18.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.843 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.2 t -107.87 112.17 24.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.811 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.486 -179.989 . . . . . . . . 0 0 . 1 stop_ save_