data_5t1n_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 5t1n _Structure_validation_residue.Date_analyzed 2016-11-11 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 ' 3' ' ' VAL . . . . . . . . . . . . . 46.7 t . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.788 0.328 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 20.7 pttp -125.52 174.15 8.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.557 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.9 131.69 4.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.559 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.45 128.18 33.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.541 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 89.1 t -129.38 124.28 59.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.562 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -80.67 126.63 31.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.662 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.5 mm . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.559 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo . . . . . 0 N--CA 1.491 1.326 0 CA-C-O 120.839 0.266 . . . . 0.0 112.086 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.529 ' HB1' HD13 ' A' ' 52' ' ' LEU . . . -59.86 -45.72 91.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.545 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 94.0 mtp -67.07 -41.62 86.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.515 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.3 mmtm -62.74 -37.76 87.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.502 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.0 mt -49.85 -46.21 51.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.537 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.518 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 13.2 m-85 -55.72 -38.83 70.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.55 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -73.87 -35.66 64.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.505 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.567 HD21 ' CE1' ' A' ' 30' ' ' PHE . 85.7 mt -67.16 -43.31 82.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.469 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 5.0 ttt -55.59 -28.78 57.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.546 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -84.51 -33.73 23.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.562 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.12 -36.15 32.33 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.567 ' CE1' HD21 ' A' ' 26' ' ' LEU . 7.5 m-85 -100.95 160.19 14.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.753 0.311 . . . . 0.0 110.558 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -103.26 93.05 4.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.542 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.742 ' HB2' ' HA3' ' A' ' 69' ' ' GLY . . . 170.97 158.09 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.603 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -102.45 126.16 49.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.541 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 91.5 t -103.68 135.07 43.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.556 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.1 tt -136.36 137.36 40.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.561 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 mp -108.64 150.13 27.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.537 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.481 HH11 ' CG ' ' A' ' 43' ' ' GLU . 17.7 ttm180 -147.39 135.59 21.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.574 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.434 ' OD1' ' CD2' ' A' ' 55' ' ' LEU . 88.1 m-20 -91.78 156.48 17.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.56 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -52.75 -28.22 21.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.59 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.632 ' OE2' ' NH2' ' A' ' 61' ' ' ARG . 44.3 mt-10 -67.73 -11.16 57.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.567 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.71 11.63 58.98 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 m -84.35 117.21 23.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.827 0.346 . . . . 0.0 110.552 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.481 ' CG ' HH11 ' A' ' 37' ' ' ARG . 96.3 mt-10 -77.93 103.24 7.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.581 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.27 65.34 7.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.58 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -40.94 120.53 1.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.553 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.518 ' O ' ' CZ ' ' A' ' 24' ' ' PHE . . . -62.84 -8.72 7.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.547 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.406 ' OD1' ' C ' ' A' ' 47' ' ' ASN . 47.5 p30 -100.44 26.7 6.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.556 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.535 ' HG ' ' H ' ' A' ' 51' ' ' ALA . 1.3 t -145.09 124.23 12.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.518 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.5 m -63.98 -35.07 72.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.618 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 85.1 mt -61.96 -36.46 74.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.614 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.535 ' H ' ' HG ' ' A' ' 48' ' ' SER . . . -66.11 -42.43 89.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.545 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.529 HD13 ' HB1' ' A' ' 20' ' ' ALA . 43.4 tp -58.41 -38.48 77.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.547 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 7.2 mt -65.33 -36.76 85.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.546 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 22.8 mmt -67.77 -37.76 82.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.545 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.434 ' CD2' ' OD1' ' A' ' 38' ' ' ASN . 96.5 mt -62.52 -34.36 76.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.588 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -54.07 -34.2 59.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.567 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 84.7 p -77.49 -6.54 53.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.616 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.87 29.36 0.46 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.549 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -69.37 97.27 0.95 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.616 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.88 4.98 39.0 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.632 ' NH2' ' OE2' ' A' ' 40' ' ' GLU . 29.8 mtp180 -106.23 164.92 11.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.796 0.331 . . . . 0.0 110.602 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -98.7 143.67 28.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.62 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.5 pt -130.89 163.87 35.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.569 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -124.86 101.72 7.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.52 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 21.3 t -81.63 126.63 39.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.546 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -119.38 138.5 53.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.568 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.07 131.23 32.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.571 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 54.8 m -123.9 129.78 51.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.501 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.742 ' HA3' ' HB2' ' A' ' 32' ' ' ALA . . . 141.67 162.18 9.06 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -47.91 -45.21 25.34 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.817 2.344 . . . . 0.0 112.08 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 74' ' ' GLU . 77.1 mt-30 -94.14 6.84 47.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.527 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.475 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 21.1 pt-20 -38.25 -35.8 0.19 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.53 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -64.59 -49.17 72.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.522 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 71' ' ' GLN . 75.5 tt0 -57.41 -52.36 65.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.52 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.43 -49.77 69.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.496 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 56.6 tp -64.27 -44.66 91.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.463 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.37 -42.44 99.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.445 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.19 -44.4 97.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.462 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 51.3 t -66.02 -43.34 92.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.452 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 51.3 mt -64.07 -41.56 92.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.443 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.81 -36.71 84.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.486 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 65.0 mt -72.61 -39.75 67.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.448 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.521 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 6.0 m-30 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.553 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.47 ' O ' HG12 ' A' ' 3' ' ' VAL . 8.9 p . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.812 0.339 . . . . 0.0 110.467 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.0 pttt -124.59 172.0 9.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.564 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -164.05 130.57 3.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.504 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.44 128.19 33.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.624 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.8 t -131.47 126.33 58.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.517 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.2 mp0 -69.71 136.64 51.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.571 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.624 ' CG2' ' O ' ' A' ' 58' ' ' ALA . 3.4 mm . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.585 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo . . . . . 0 N--CA 1.492 1.385 0 CA-C-O 120.804 0.252 . . . . 0.0 112.118 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.469 ' HB3' HD23 ' A' ' 52' ' ' LEU . . . -60.29 -43.97 95.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.617 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 57.8 mtt -67.67 -41.13 84.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.605 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -61.16 -37.89 84.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.516 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 mt -48.92 -45.79 42.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.562 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -57.21 -40.27 77.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.506 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -72.87 -34.91 67.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.543 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.506 ' HG ' ' CE1' ' A' ' 30' ' ' PHE . 0.9 OUTLIER -69.05 -41.46 77.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.503 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.481 ' SD ' ' O ' ' A' ' 32' ' ' ALA . 14.3 mmm -53.82 -33.29 55.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.504 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -79.47 -39.66 31.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.539 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.95 -41.58 87.49 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.588 ' N ' ' CD2' ' A' ' 30' ' ' PHE . 5.3 m-30 -95.62 166.15 11.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.792 0.33 . . . . 0.0 110.548 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -108.13 92.63 4.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.547 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.631 ' HB3' ' HA3' ' A' ' 69' ' ' GLY . . . 172.53 153.34 0.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.619 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 68' ' ' THR . 84.0 tt0 -98.33 135.3 40.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.555 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 83.6 t -107.73 138.28 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.521 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.451 HD23 ' NE ' ' A' ' 37' ' ' ARG . 0.9 OUTLIER -137.18 129.16 29.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.589 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.4 mt -106.29 152.83 23.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.591 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.451 ' NE ' HD23 ' A' ' 35' ' ' LEU . 92.4 mtt180 -146.91 133.84 20.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.605 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -89.27 152.88 21.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.48 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 39' ' ' ASP . 32.8 p-10 -52.51 -30.58 31.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.625 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -70.9 -4.78 26.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.528 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.22 18.92 58.31 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.5 m -85.41 110.53 19.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 110.545 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -71.72 104.58 3.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.552 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -100.4 77.2 1.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.512 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.477 ' C ' ' H ' ' A' ' 47' ' ' ASN . 96.4 mt-10 -40.25 121.44 1.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.578 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.58 3.78 0.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.558 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.477 ' H ' ' C ' ' A' ' 45' ' ' GLU . 76.9 m-20 -119.81 28.74 7.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.518 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.8 t -143.87 126.96 16.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.577 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.2 m -65.46 -32.65 59.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.547 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 83.6 mt -62.67 -37.5 79.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.562 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.71 -42.19 91.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.512 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.469 HD23 ' HB3' ' A' ' 20' ' ' ALA . 4.3 tp -58.05 -38.44 76.3 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.563 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.6 mt -59.24 -39.7 83.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.568 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 56.7 mtt -67.75 -40.32 84.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.499 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 58' ' ' ALA . 91.2 mt -61.73 -31.35 71.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.547 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -49.69 -39.26 36.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.618 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.53 ' C ' ' H ' ' A' ' 59' ' ' LYS . 90.8 p -74.21 -9.24 58.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.633 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.624 ' O ' ' CG2' ' A' ' 9' ' ' ILE . . . -74.52 29.29 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.527 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.53 ' H ' ' C ' ' A' ' 57' ' ' SER . 88.8 tttt -70.34 96.33 1.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.469 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.578 ' H ' HG22 ' A' ' 9' ' ' ILE . . . 101.0 9.19 46.09 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.451 ' O ' ' HB ' ' A' ' 9' ' ' ILE . 18.1 mmt180 -104.38 171.89 7.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.784 0.326 . . . . 0.0 110.553 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -106.51 141.66 37.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.638 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 21.9 pt -131.54 164.28 34.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.54 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -124.02 103.05 8.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.563 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.4 t -84.04 131.96 32.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.592 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -127.05 140.13 52.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.593 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -135.28 135.34 40.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.568 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 33' ' ' GLU . 31.3 m -129.1 131.25 47.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.575 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.631 ' HA3' ' HB3' ' A' ' 32' ' ' ALA . . . 140.61 165.89 10.48 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -47.61 -42.95 29.02 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.876 2.384 . . . . 0.0 112.104 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -102.24 23.85 11.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.595 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.435 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 18.2 pt-20 -52.68 -39.15 61.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.611 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -65.07 -48.2 74.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.613 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -56.48 -48.24 77.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.6 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.24 -46.51 82.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.575 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 44.7 tp -64.22 -44.77 90.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.526 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.93 -42.39 98.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.592 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.76 -43.18 99.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.616 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 42.0 t -67.59 -44.76 86.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.561 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 45.0 mt -63.35 -41.35 92.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.505 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.88 -34.73 78.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.485 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -72.98 -39.33 66.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.506 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.552 179.947 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.75 ' O ' HD13 ' A' ' 76' ' ' LEU . 88.7 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.804 0.335 . . . . 0.0 110.506 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.515 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 8.6 pttm -120.87 162.36 19.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.633 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.515 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 60.2 mt-30 -157.1 127.72 6.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.493 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.77 127.57 32.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.543 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 69.7 t -131.68 133.22 61.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.55 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -74.73 138.18 42.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.577 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.588 ' CG2' ' O ' ' A' ' 58' ' ' ALA . 15.2 mm . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.567 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo . . . . . 0 N--CA 1.491 1.371 0 CA-C-O 120.837 0.265 . . . . 0.0 112.052 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.552 ' CB ' HD22 ' A' ' 52' ' ' LEU . . . -61.09 -49.1 78.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.53 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 59.2 mtt -64.09 -42.48 96.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.477 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -63.43 -37.21 86.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.494 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.6 mt -54.3 -44.34 71.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.42 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -55.72 -39.98 71.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.458 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -72.09 -35.76 69.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.455 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.444 HD22 ' CE1' ' A' ' 30' ' ' PHE . 65.3 mt -63.54 -43.35 97.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.549 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.416 ' O ' ' O ' ' A' ' 30' ' ' PHE . 82.6 mtp -57.39 -35.72 70.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.529 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -74.1 -42.14 60.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.501 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.53 -35.42 59.48 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.511 ' CD2' ' N ' ' A' ' 30' ' ' PHE . 6.8 m-30 -99.7 154.54 18.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.775 0.321 . . . . 0.0 110.537 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.837 ' O ' ' HD2' ' A' ' 70' ' ' PRO . 82.3 m-20 -100.24 92.59 5.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.569 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.538 ' CB ' ' O ' ' A' ' 68' ' ' THR . . . 171.75 151.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.565 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 67.6 tt0 -96.29 133.59 40.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.595 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 61.4 t -108.54 144.64 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.59 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.405 ' CD2' ' NH1' ' A' ' 37' ' ' ARG . 2.1 tt -145.93 130.71 18.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.63 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 mp -115.15 154.26 29.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.5 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.405 ' NH1' ' CD2' ' A' ' 35' ' ' LEU . 11.3 ptp85 -157.84 145.72 18.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.566 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -92.15 157.75 16.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.55 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' A' ' 40' ' ' GLU . 52.1 p-10 -60.25 -23.9 64.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.593 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.474 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 98.2 mt-10 -67.19 -20.15 65.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.585 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.16 7.08 29.15 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.8 m -84.03 112.42 20.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.743 0.306 . . . . 0.0 110.5 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -84.03 107.57 16.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.537 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 45' ' ' GLU . . . -95.15 72.96 3.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.59 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.516 ' C ' ' H ' ' A' ' 47' ' ' ASN . 94.6 mt-10 -37.14 121.03 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.585 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.35 -1.12 0.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.519 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.516 ' H ' ' C ' ' A' ' 45' ' ' GLU . 50.5 t30 -121.76 46.18 2.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.583 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.5 t -156.41 126.39 6.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.564 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 35.9 m -66.35 -36.85 78.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.625 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 83.8 mt -61.39 -34.94 63.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.537 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.406 ' HB2' ' CA ' ' A' ' 44' ' ' ALA . . . -66.72 -39.66 88.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.581 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.552 HD22 ' CB ' ' A' ' 20' ' ' ALA . 49.4 tp -59.48 -40.37 86.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.549 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.6 mt -64.29 -37.44 87.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.542 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 23.0 mmt -66.36 -37.9 86.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.543 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.6 -23.84 67.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.491 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -55.31 -38.11 68.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.584 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 75.6 m -77.99 0.62 23.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.598 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.588 ' O ' ' CG2' ' A' ' 9' ' ' ILE . . . -88.08 31.03 0.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.564 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.5 pttm -75.22 95.77 3.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.539 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 104.96 6.1 40.34 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 59.7 mtp85 -104.22 161.04 14.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.75 0.31 . . . . 0.0 110.572 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -94.96 144.04 25.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.564 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 46.7 pt -132.08 165.19 32.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.524 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -125.24 102.56 7.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.568 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 6.3 t -83.2 132.15 32.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.549 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -127.76 139.85 52.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.578 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.94 140.58 38.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.589 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.538 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 51.4 m -129.66 140.13 51.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.586 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.532 ' HA3' ' HB2' ' A' ' 32' ' ' ALA . . . 132.73 -178.95 17.72 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.837 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 48.2 Cg_endo -72.62 -25.89 17.02 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.836 2.357 . . . . 0.0 112.088 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -112.66 15.42 19.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.506 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -51.8 -42.65 62.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.606 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -58.3 -47.46 83.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.554 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -56.48 -51.32 68.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.53 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.75 -47.66 59.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.572 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.75 HD13 ' O ' ' A' ' 3' ' ' VAL . 92.0 mt -65.56 -41.11 93.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.591 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.84 -43.31 94.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.572 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.52 -43.29 97.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.566 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 65.7 t -68.78 -44.98 81.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.534 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 47.1 mt -64.96 -40.52 89.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.453 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.85 -34.9 78.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.537 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.7 mt -72.85 -37.64 67.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.5 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.536 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 7.3 m-30 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.52 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 3' ' ' VAL . 24.8 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.721 0.296 . . . . 0.0 110.517 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.2 mttp -120.37 143.29 48.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.708 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -145.3 135.12 23.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.533 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.03 126.47 39.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.565 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.4 p -130.07 136.33 59.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.58 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -75.89 129.91 37.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.542 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.2 mm . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.57 -179.924 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo . . . . . 0 N--CA 1.491 1.325 0 CA-C-O 120.83 0.262 . . . . 0.0 112.096 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.19 -40.81 95.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.574 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 56.0 mtt -68.57 -42.53 78.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.562 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -59.21 -40.24 85.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.549 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.7 mt -47.58 -43.14 25.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.501 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.529 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 10.1 m-85 -57.51 -42.7 83.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.503 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -72.06 -35.6 69.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.441 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.29 -40.76 77.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.514 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.483 ' SD ' ' O ' ' A' ' 32' ' ' ALA . 13.0 mmm -53.91 -37.03 63.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.501 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -72.75 -39.07 67.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.522 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.55 -35.31 32.99 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.507 ' N ' ' CD2' ' A' ' 30' ' ' PHE . 9.0 m-30 -95.72 136.23 36.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.725 0.297 . . . . 0.0 110.574 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.864 ' O ' ' HD2' ' A' ' 70' ' ' PRO . 83.3 m-20 -88.87 94.33 9.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.636 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.553 ' HB1' ' HA3' ' A' ' 69' ' ' GLY . . . 170.75 152.57 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.6 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 67' ' ' ALA . 40.3 tp10 -95.39 129.83 42.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.582 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.8 m -106.25 144.83 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.592 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.2 tt -147.07 133.6 19.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.551 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.6 mt -106.95 152.25 24.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.574 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 43.7 mtp85 -146.79 132.02 18.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.569 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -86.16 157.55 19.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.516 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -50.22 -37.09 33.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.593 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -68.07 0.47 3.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.565 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.57 22.33 62.42 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.1 m -87.6 111.67 21.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.883 0.373 . . . . 0.0 110.55 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -71.88 104.89 3.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.609 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.41 68.79 3.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.468 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -44.95 120.48 2.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.539 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.529 ' O ' ' CZ ' ' A' ' 24' ' ' PHE . . . -62.47 -38.17 88.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.562 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.44 ' O ' ' CG ' ' A' ' 47' ' ' ASN . 14.4 t-20 -64.34 1.12 0.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.543 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.493 ' H ' ' C ' ' A' ' 46' ' ' ALA . 11.2 t -122.39 120.76 34.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.561 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.9 m -65.06 -30.94 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.536 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 79.0 mt -61.6 -36.05 70.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.644 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.2 -40.81 82.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.517 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 80.1 mt -58.26 -39.88 80.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.536 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 68.5 tp -66.65 -35.85 81.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.587 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 15.0 tpt -66.66 -35.64 80.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.561 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.87 -24.0 66.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.515 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -50.8 -37.07 40.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.509 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.447 ' C ' ' H ' ' A' ' 59' ' ' LYS . 96.8 p -77.84 -7.72 57.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.548 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.88 29.68 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.554 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.447 ' H ' ' C ' ' A' ' 57' ' ' SER . 30.2 ttpt -74.21 97.83 3.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.583 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 104.15 8.81 38.06 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 54.3 mtt85 -106.21 170.76 7.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.764 0.316 . . . . 0.0 110.58 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -105.2 139.46 39.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.557 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 31.0 pt -127.94 163.38 31.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.554 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -121.35 107.13 12.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.625 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.8 t -87.0 123.46 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.556 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -121.07 137.5 54.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.59 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.428 ' O ' HG21 ' A' ' 3' ' ' VAL . . . -139.45 138.19 36.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.576 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.469 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 23.1 m -126.46 138.41 53.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.569 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.553 ' HA3' ' HB1' ' A' ' 32' ' ' ALA . . . 136.66 -177.9 19.3 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.864 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 48.0 Cg_endo -72.36 -29.48 13.82 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.88 2.386 . . . . 0.0 112.097 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.423 ' OE1' ' HA ' ' A' ' 30' ' ' PHE . 81.8 mt-30 -107.84 10.4 28.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.491 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.431 ' OE2' ' O ' ' A' ' 69' ' ' GLY . 13.1 pt-20 -47.44 -44.4 24.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.54 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.452 ' HG3' ' H ' ' A' ' 74' ' ' GLU . 3.1 pt-20 -58.79 -44.0 90.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.538 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.452 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 87.0 mt-10 -58.91 -47.66 84.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.573 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.56 -45.99 73.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.546 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.4 mp -65.16 -43.56 91.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.527 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.77 -44.08 97.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.516 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.85 -43.41 96.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.503 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 59.3 t -69.32 -44.21 80.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.47 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.401 HG23 HD13 ' A' ' 80' ' ' ILE . 51.8 mt -62.53 -42.22 95.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.45 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.68 -34.99 78.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.471 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -73.11 -40.53 64.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.513 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.453 ' HD1' ' N ' ' A' ' 83' ' ' PHE . 3.0 m-85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.542 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.765 ' O ' HD11 ' A' ' 76' ' ' LEU . 99.3 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.754 0.311 . . . . 0.0 110.602 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.654 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 1.4 pttm -117.61 169.44 9.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.61 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.654 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 32.3 mt-30 -163.22 130.09 3.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.509 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.71 125.3 29.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.613 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 94.0 t -128.77 125.8 63.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.557 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -72.55 133.88 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.602 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.57 HG22 ' H ' ' A' ' 60' ' ' GLY . 4.0 mm . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.583 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo . . . . . 0 N--CA 1.491 1.357 0 CA-C-O 120.78 0.242 . . . . 0.0 112.123 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.75 -48.68 79.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.462 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 17.0 mmt -64.49 -40.56 95.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.536 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -65.96 -35.73 81.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.513 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 mt -49.79 -45.94 50.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.552 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.51 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 10.7 m-85 -54.35 -38.41 66.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.49 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -74.36 -34.9 63.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.569 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.423 HD23 ' CE1' ' A' ' 30' ' ' PHE . 69.3 mt -64.39 -44.0 92.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.506 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 74.3 mtp -56.51 -33.5 66.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.531 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -78.36 -43.09 28.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.553 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.31 -39.69 81.39 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.574 ' CD2' ' N ' ' A' ' 30' ' ' PHE . 5.0 m-30 -97.7 165.87 11.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.816 0.341 . . . . 0.0 110.602 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -108.57 94.79 5.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.545 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.587 ' HB1' ' HA3' ' A' ' 69' ' ' GLY . . . 169.96 153.26 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.559 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 67' ' ' ALA . 86.2 tt0 -97.57 130.99 44.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.643 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 83.7 t -107.75 137.8 37.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.48 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.539 HD21 ' HE ' ' A' ' 37' ' ' ARG . 1.4 tt -138.77 132.6 30.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.65 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 mp -106.99 154.05 21.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.561 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.539 ' HE ' HD21 ' A' ' 35' ' ' LEU . 99.7 mtt180 -143.18 135.11 26.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.62 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -90.91 149.38 21.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.572 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.85 -30.82 10.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.502 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -70.72 -8.1 49.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.537 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.79 11.09 59.46 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.9 m -81.27 113.12 19.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.822 0.344 . . . . 0.0 110.516 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -73.35 102.76 3.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.574 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -91.3 62.88 4.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.587 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.541 ' C ' ' H ' ' A' ' 47' ' ' ASN . 37.6 mt-10 -40.24 120.21 1.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.604 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.51 ' O ' ' CZ ' ' A' ' 24' ' ' PHE . . . -58.98 -1.81 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.547 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.541 ' H ' ' C ' ' A' ' 45' ' ' GLU . 36.3 p30 -111.19 41.47 1.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.577 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.26 126.61 5.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.566 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.4 m -65.76 -35.11 74.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.625 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.424 ' O ' ' SD ' ' A' ' 54' ' ' MET . 84.2 mt -64.08 -34.8 71.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.608 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.54 -45.32 83.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.539 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.4 mp -58.89 -36.52 74.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.555 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.3 mt -68.45 -35.92 78.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.571 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.424 ' SD ' ' O ' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -66.17 -37.75 86.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.517 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.8 mt -64.77 -23.36 67.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.555 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.401 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 65.3 t0 -54.36 -36.69 64.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.611 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.5 m -78.67 1.71 21.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.51 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.539 ' O ' ' CG2' ' A' ' 9' ' ' ILE . . . -89.32 30.19 1.01 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.662 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -72.33 96.68 1.9 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.6 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.57 ' H ' HG22 ' A' ' 9' ' ' ILE . . . 103.33 8.33 41.27 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.419 ' O ' ' HB ' ' A' ' 9' ' ' ILE . 27.2 mmm-85 -104.94 177.09 4.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.817 0.342 . . . . 0.0 110.584 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 26.7 pt20 -110.89 146.28 36.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.553 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.4 pt -134.12 160.68 41.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.552 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -120.21 100.2 7.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.625 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 38.3 t -81.79 128.3 38.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.589 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -121.24 136.74 54.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.535 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 33' ' ' GLU . . . -134.89 133.08 39.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.556 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 32.2 m -128.64 130.12 46.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.556 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.587 ' HA3' ' HB1' ' A' ' 32' ' ' ALA . . . 141.71 167.18 11.14 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -47.64 -43.35 28.42 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.828 2.352 . . . . 0.0 112.153 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -102.37 24.71 9.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.58 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.435 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 18.9 pt-20 -53.03 -40.77 64.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.549 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.401 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 87.0 mt-10 -65.64 -46.48 79.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.604 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -56.63 -49.41 75.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.541 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.99 -46.69 75.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.582 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.765 HD11 ' O ' ' A' ' 3' ' ' VAL . 1.7 mt -65.35 -43.27 91.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.571 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.08 -43.12 95.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.533 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.78 -43.57 98.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.579 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 58.2 t -67.98 -44.09 85.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.501 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.488 ' CD1' ' NE2' ' A' ' 5' ' ' GLN . 55.5 mt -64.48 -42.01 93.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.529 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.6 -34.95 78.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.491 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.3 mt -74.06 -38.62 63.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.532 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.531 179.935 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 74.4 t . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.835 0.35 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 51.2 pttt -126.02 175.32 7.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.675 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.487 ' NE2' ' CD1' ' A' ' 80' ' ' ILE . 6.1 tt0 -169.13 135.27 1.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.437 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.03 130.27 35.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.611 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 74.4 t -134.36 129.01 52.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.574 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -70.51 128.03 34.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.556 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.472 HG23 ' H ' ' A' ' 60' ' ' GLY . 5.8 mm . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.639 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo . . . . . 0 N--CA 1.491 1.337 0 CA-C-O 120.802 0.251 . . . . 0.0 112.023 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.01 -47.07 88.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.476 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 57.2 mtt -63.78 -40.26 96.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.537 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.444 ' O ' HD22 ' A' ' 26' ' ' LEU . 89.7 mttt -63.44 -37.38 87.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.592 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 mt -48.39 -42.68 32.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.533 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.459 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 19.9 m-85 -58.49 -41.9 86.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.466 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -69.65 -37.2 76.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.53 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.495 HD13 ' CE1' ' A' ' 30' ' ' PHE . 4.1 mm? -66.59 -39.58 88.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.503 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.466 ' SD ' ' O ' ' A' ' 32' ' ' ALA . 0.4 OUTLIER -51.46 -33.51 31.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.539 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -80.17 -41.29 25.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.566 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.72 -39.01 90.3 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.495 ' CE1' HD13 ' A' ' 26' ' ' LEU . 9.5 m-30 -100.88 154.92 18.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.767 0.318 . . . . 0.0 110.578 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -101.26 92.48 4.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.546 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.608 ' HB1' ' HA3' ' A' ' 69' ' ' GLY . . . 172.99 155.16 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.589 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -99.76 133.9 43.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.571 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.9 m -111.67 145.09 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.578 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.7 tt -144.41 138.19 27.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.571 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.1 mt -109.15 146.89 33.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.579 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -145.99 134.2 21.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.568 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -86.33 153.61 21.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.541 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -53.3 -31.55 44.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.58 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -67.74 -5.16 14.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.524 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.13 20.66 48.65 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.2 m -88.51 112.62 23.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.802 0.334 . . . . 0.0 110.55 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.476 ' OE1' ' N ' ' A' ' 43' ' ' GLU . 58.4 mp0 -77.32 105.26 8.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.556 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.98 76.58 1.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.552 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -42.24 121.41 1.88 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.563 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.459 ' O ' ' CZ ' ' A' ' 24' ' ' PHE . . . -69.79 0.72 5.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.503 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.682 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 0.1 OUTLIER -106.9 14.44 26.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.583 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 55.0 m -135.07 129.78 34.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.554 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.4 m -64.6 -31.89 55.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.611 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 90.0 mt -61.56 -38.08 79.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.536 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.74 -39.65 84.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.575 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 87.7 mt -59.08 -39.96 83.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.616 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.0 mt -70.03 -34.11 72.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.526 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.3 ttm -66.21 -40.48 90.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.538 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.2 mt -64.51 -23.83 67.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.58 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -55.27 -38.53 68.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.605 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 61.4 m -72.69 -8.1 53.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.575 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -84.47 10.53 10.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.578 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.431 ' CG ' ' O ' ' A' ' 59' ' ' LYS . 12.0 ptmt -53.37 101.51 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.606 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.472 ' H ' HG23 ' A' ' 9' ' ' ILE . . . 104.63 1.3 43.22 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -101.6 173.26 6.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.813 0.34 . . . . 0.0 110.63 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -100.73 144.22 29.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.589 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 33.3 pt -133.67 161.76 40.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.657 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -122.39 104.75 9.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.592 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 39.7 t -84.28 126.85 40.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.568 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -120.37 138.89 53.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.559 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.81 131.45 31.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.531 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 47.6 m -126.26 131.29 51.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.574 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.608 ' HA3' ' HB1' ' A' ' 32' ' ' ALA . . . 140.24 165.0 10.12 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -47.85 -41.17 32.28 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.809 2.34 . . . . 0.0 112.117 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -101.49 19.62 17.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.598 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.415 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 23.2 pt-20 -48.89 -39.87 27.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.54 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.411 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 91.4 mt-10 -64.71 -48.5 74.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.541 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.4 tp10 -54.11 -50.41 66.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.597 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.74 -47.52 73.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.523 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.411 HD23 HE21 ' A' ' 5' ' ' GLN . 6.7 tp -62.05 -43.85 97.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.557 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.27 -42.61 98.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.486 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.09 -44.09 97.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.518 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 61.3 t -67.37 -43.94 87.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.466 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.487 ' CD1' ' NE2' ' A' ' 5' ' ' GLN . 54.0 mt -64.9 -39.37 85.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.489 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.28 -36.99 85.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.52 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 55.3 mt -69.82 -40.85 75.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.537 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.564 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 6.3 m-30 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.48 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.3 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.803 0.335 . . . . 0.0 110.475 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt -115.93 151.08 36.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.586 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.45 133.13 13.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.519 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.64 127.72 35.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.614 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 86.3 t -129.71 133.11 65.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.492 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -83.62 125.08 31.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.655 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.508 HD12 HG23 ' A' ' 9' ' ' ILE . 20.9 mt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.491 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo . . . . . 0 N--CA 1.492 1.419 0 CA-C-O 120.77 0.238 . . . . 0.0 112.061 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.641 ' CB ' HD21 ' A' ' 52' ' ' LEU . . . -61.3 -44.01 97.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.514 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 64.4 mtt -68.89 -43.01 76.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.525 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -60.31 -37.13 79.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.579 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.3 mt -50.55 -45.67 57.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.544 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.461 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 8.2 m-85 -54.85 -39.08 68.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.566 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -76.14 -35.97 58.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.539 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.562 ' O ' ' N ' ' A' ' 30' ' ' PHE . 89.5 mt -64.73 -43.05 94.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.547 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 87.5 mtp -59.61 -37.33 78.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.63 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 29.8 tp60 -57.33 -41.7 80.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.544 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -97.07 -19.3 26.68 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.562 ' N ' ' O ' ' A' ' 26' ' ' LEU . 7.3 m-85 -95.12 121.5 36.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.749 0.309 . . . . 0.0 110.591 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.652 ' H ' ' NE2' ' A' ' 71' ' ' GLN . 98.4 m-20 -79.09 94.79 5.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.572 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.559 ' HB1' ' HA3' ' A' ' 69' ' ' GLY . . . 163.03 155.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.569 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -102.97 128.14 49.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.548 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 70.3 t -106.98 138.18 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.484 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.7 tt -136.45 136.83 39.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.688 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 mp -108.72 145.17 35.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.563 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.6 HH11 ' CG ' ' A' ' 43' ' ' GLU . 19.4 ttm180 -142.42 134.16 26.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.572 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -87.41 155.52 19.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.518 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 40' ' ' GLU . 46.5 p-10 -56.57 -26.41 55.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.603 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.444 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 99.3 mt-10 -69.35 -22.59 63.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.56 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.13 4.66 31.0 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 m -80.62 111.42 17.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.816 0.341 . . . . 0.0 110.626 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.6 ' CG ' HH11 ' A' ' 37' ' ' ARG . 99.7 mt-10 -70.98 100.48 1.99 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.62 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.413 ' HA ' ' CB ' ' A' ' 51' ' ' ALA . . . -84.31 47.33 1.32 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.561 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -39.52 119.91 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.664 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.52 ' C ' ' H ' ' A' ' 48' ' ' SER . . . -55.3 -33.4 63.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.623 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.538 ' O ' ' CG ' ' A' ' 47' ' ' ASN . 0.1 OUTLIER -74.53 33.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.594 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.52 ' H ' ' C ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -155.27 125.77 6.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.578 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.8 m -68.07 -38.87 80.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.617 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 82.3 mt -60.43 -33.32 53.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.561 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.413 ' CB ' ' HA ' ' A' ' 44' ' ' ALA . . . -65.65 -42.37 91.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.632 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.641 HD21 ' CB ' ' A' ' 20' ' ' ALA . 6.7 mt -59.7 -37.65 79.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.628 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.413 ' O ' ' HB2' ' A' ' 56' ' ' ASP . 65.4 tp -64.4 -36.21 83.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.58 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 21.3 mmt -67.66 -35.81 79.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.512 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.4 mt -60.88 -24.04 65.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.594 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.413 ' HB2' ' O ' ' A' ' 53' ' ' LEU . 96.1 m-20 -56.42 -35.78 68.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.582 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 89.6 p -84.95 2.44 42.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.544 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -87.48 24.32 1.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.619 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -75.03 99.21 3.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.542 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.39 0.04 40.43 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 88.2 mtt-85 -102.47 165.7 10.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.779 0.324 . . . . 0.0 110.545 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -100.17 141.86 32.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.516 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 43.5 pt -127.17 159.39 37.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.618 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -116.97 107.79 14.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.583 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.5 t -88.29 117.39 31.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.621 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -113.97 135.6 53.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.64 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 72' ' ' GLU . . . -134.5 129.12 34.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.588 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 65.9 m -123.12 130.28 52.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.572 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.559 ' HA3' ' HB1' ' A' ' 32' ' ' ALA . . . 139.93 165.09 10.15 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -46.93 -45.72 20.19 Favored 'Trans proline' 0 C--N 1.303 -1.832 0 C-N-CA 122.874 2.383 . . . . 0.0 112.139 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.652 ' NE2' ' H ' ' A' ' 31' ' ' ASP . 77.4 mt-30 -90.77 5.13 49.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.638 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.536 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 21.3 pt-20 -39.79 -40.21 0.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.603 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.427 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 94.6 mt-10 -65.64 -49.1 69.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.597 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -63.86 -50.14 69.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.528 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.96 -47.69 74.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.559 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 58.4 tp -63.62 -42.59 98.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.554 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.14 -41.41 96.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.553 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.87 -46.3 88.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.639 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 96.2 t -65.11 -42.6 94.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.572 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 50.7 mt -66.73 -39.33 83.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.576 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.5 -36.74 83.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.619 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.6 mt -69.79 -41.1 75.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.535 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.58 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 6.8 m-30 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.6 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.635 ' O ' HD11 ' A' ' 76' ' ' LEU . 78.9 t . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.747 0.308 . . . . 0.0 110.554 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.538 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 47.4 pttt -123.39 170.56 10.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.683 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.538 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 50.5 mt-30 -157.98 133.43 8.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.476 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.6 127.04 33.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.621 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 53.5 t -130.35 125.97 60.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.506 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -71.29 133.8 46.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.651 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.416 ' HB ' ' O ' ' A' ' 61' ' ' ARG . 12.8 mm . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.599 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo . . . . . 0 N--CA 1.491 1.362 0 CA-C-O 120.746 0.227 . . . . 0.0 112.098 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 23' ' ' LEU . . . -51.97 -55.44 20.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.544 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 39.0 mmm -58.6 -47.12 85.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.509 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -61.23 -37.81 84.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.6 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 3.6 mt -49.66 -50.04 44.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.578 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.552 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 5.8 m-85 -49.81 -42.82 47.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.593 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -78.21 -34.25 49.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.491 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.498 ' O ' ' HB2' ' A' ' 30' ' ' PHE . 4.6 tp -63.87 -45.57 88.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.546 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 43.5 mtm -61.31 -35.68 78.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.519 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -58.06 -41.66 83.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.546 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.71 -21.99 27.28 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.498 ' HB2' ' O ' ' A' ' 26' ' ' LEU . 3.2 m-85 -91.27 125.25 35.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.822 0.344 . . . . 0.0 110.563 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.612 ' H ' ' NE2' ' A' ' 71' ' ' GLN . 93.5 m-20 -78.29 96.31 5.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.519 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.591 ' HB1' ' HA3' ' A' ' 69' ' ' GLY . . . 158.86 152.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.573 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -100.71 130.16 46.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.678 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 92.8 t -105.98 137.22 37.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.535 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.407 HD23 ' NE ' ' A' ' 37' ' ' ARG . 1.5 tt -136.73 134.6 37.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.605 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -105.19 151.39 24.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.492 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.407 ' NE ' HD23 ' A' ' 35' ' ' LEU . 73.5 mtt180 -148.0 134.25 19.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.565 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -92.78 157.46 16.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.553 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.406 ' O ' ' OD1' ' A' ' 39' ' ' ASP . 65.5 t0 -52.89 -31.41 39.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.586 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -67.18 -11.31 57.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.621 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.28 15.57 55.31 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 m -85.08 113.48 21.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.738 0.304 . . . . 0.0 110.579 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -72.06 100.86 2.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.534 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -86.73 58.35 5.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.594 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -41.29 119.93 1.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.58 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.552 ' O ' ' CZ ' ' A' ' 24' ' ' PHE . . . -59.64 -31.22 69.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.551 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 56.9 p30 -76.7 28.6 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.534 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.501 ' H ' ' C ' ' A' ' 46' ' ' ALA . 7.3 t -148.66 123.2 9.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.606 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.7 m -65.8 -33.44 63.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.559 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 85.4 mt -60.71 -35.92 67.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.599 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.87 -45.46 78.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.529 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.5 mp -54.95 -36.53 65.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.583 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.9 mt -70.09 -35.99 74.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.583 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 21.4 mmt -68.34 -35.64 78.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.599 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.4 mt -62.39 -32.66 73.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.578 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -52.37 -30.37 28.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.553 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 84.9 p -82.35 -5.63 58.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.612 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.77 29.29 0.54 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.565 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -71.99 97.06 1.8 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.635 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.62 4.28 40.01 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.416 ' O ' ' HB ' ' A' ' 9' ' ' ILE . 92.4 mtt-85 -106.08 159.55 15.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.759 0.314 . . . . 0.0 110.609 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -93.31 143.95 25.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.583 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 33.7 pt -129.6 160.03 41.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.607 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -122.14 98.59 6.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.541 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 40.8 t -80.35 126.2 39.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.541 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -119.2 138.62 52.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.601 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.412 ' O ' ' HB2' ' A' ' 72' ' ' GLU . . . -137.02 131.53 32.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.597 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 60.2 m -124.96 129.93 51.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.547 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.591 ' HA3' ' HB1' ' A' ' 32' ' ' ALA . . . 138.66 165.5 10.3 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -47.01 -43.13 25.17 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.815 2.344 . . . . 0.0 112.143 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.612 ' NE2' ' H ' ' A' ' 31' ' ' ASP . 77.9 mt-30 -95.0 12.92 26.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.557 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.501 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 22.2 pt-20 -46.76 -44.07 18.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.606 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.476 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 38.3 mt-10 -66.77 -45.29 78.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.594 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -61.13 -49.01 79.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.599 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.07 -46.5 68.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.564 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.635 HD11 ' O ' ' A' ' 3' ' ' VAL . 1.5 mt -66.77 -41.86 87.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.526 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.27 -44.18 97.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.528 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.17 -44.36 97.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.5 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 83.9 t -68.88 -41.94 82.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.608 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 44.5 mt -64.9 -42.67 95.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.574 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.74 -34.5 75.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.604 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.9 mt -74.86 -37.63 62.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.573 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.613 179.941 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.683 ' O ' HD13 ' A' ' 76' ' ' LEU . 96.7 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.744 0.306 . . . . 0.0 110.558 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.561 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 48.5 pttt -119.73 166.65 12.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.619 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.561 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 22.7 mt-30 -159.48 131.88 6.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.505 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.79 128.18 33.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.669 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 97.3 t -130.79 131.21 64.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.495 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -78.61 135.24 37.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.685 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.0 mm . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.478 179.967 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo . . . . . 0 N--CA 1.491 1.325 0 CA-C-O 120.803 0.251 . . . . 0.0 112.108 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.7 -42.88 99.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.481 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 12.0 mmt -65.05 -43.96 90.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.503 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -62.28 -38.4 89.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.573 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.4 mt -47.43 -44.9 25.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.538 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -52.73 -38.48 60.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.572 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -75.15 -31.41 61.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.48 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.524 HD21 ' CE1' ' A' ' 30' ' ' PHE . 68.7 mt -65.07 -44.17 89.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.553 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.422 ' SD ' ' O ' ' A' ' 32' ' ' ALA . 36.0 mmm -52.3 -30.79 29.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.576 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -81.19 -42.46 20.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.544 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.23 -40.32 55.97 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.555 ' N ' ' CD2' ' A' ' 30' ' ' PHE . 3.5 m-30 -100.48 150.78 22.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.793 0.33 . . . . 0.0 110.595 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -99.95 95.15 6.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.621 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.709 ' HB3' ' HA3' ' A' ' 69' ' ' GLY . . . 171.36 150.32 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.517 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 68' ' ' THR . 86.1 tt0 -94.97 139.17 31.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.596 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.9 m -114.97 146.37 19.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.499 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 tt -143.1 137.67 29.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.667 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.4 mt -110.7 150.14 29.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.533 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -151.15 132.93 14.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.559 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.469 ' OD1' ' CD2' ' A' ' 55' ' ' LEU . 96.4 m-20 -87.13 156.93 19.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.555 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 40' ' ' GLU . 48.1 p-10 -53.41 -23.43 9.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.6 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.434 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 99.4 mt-10 -72.55 -6.13 41.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.578 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.53 20.01 59.18 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 m -89.38 116.43 27.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.338 . . . . 0.0 110.562 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -82.57 104.89 13.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.63 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.447 ' CB ' ' HB1' ' A' ' 51' ' ' ALA . . . -102.79 96.36 6.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.612 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -43.09 121.82 2.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.518 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.65 -3.26 20.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.537 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -110.74 22.59 15.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.592 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 39.5 t -137.69 134.18 35.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.57 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.95 -30.95 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.53 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 84.0 mt -61.47 -39.18 82.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.613 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.447 ' HB1' ' CB ' ' A' ' 44' ' ' ALA . . . -69.08 -40.06 78.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.636 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 92.1 mt -60.68 -40.08 90.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.525 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.0 mt -63.82 -38.91 92.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.629 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 97.7 mtp -70.04 -39.05 75.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.553 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.469 ' CD2' ' OD1' ' A' ' 38' ' ' ASN . 91.5 mt -64.13 -30.2 71.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.538 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -54.0 -35.86 62.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.562 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.442 ' C ' ' H ' ' A' ' 59' ' ' LYS . 75.6 m -73.61 -4.59 35.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.585 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.44 29.41 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.563 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.442 ' H ' ' C ' ' A' ' 57' ' ' SER . 13.4 pttp -70.06 98.3 1.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.543 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 104.21 6.94 41.5 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -110.71 157.15 20.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.756 0.313 . . . . 0.0 110.561 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -92.27 143.85 25.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.578 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 28.2 pt -130.8 162.49 38.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.542 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -122.55 105.39 10.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.613 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 48.9 t -85.74 130.2 36.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.592 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -123.27 139.49 53.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.614 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.35 138.09 37.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.492 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 33' ' ' GLU . 32.5 m -133.74 130.74 38.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.483 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.709 ' HA3' ' HB3' ' A' ' 32' ' ' ALA . . . 142.97 165.37 10.61 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -47.64 -42.23 29.85 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.792 2.328 . . . . 0.0 112.081 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -107.8 29.5 7.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.56 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.477 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 17.0 pt-20 -58.14 -37.89 75.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.586 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -63.33 -47.92 80.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.558 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -55.64 -48.22 75.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.583 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.6 -48.39 72.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.582 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.683 HD13 ' O ' ' A' ' 3' ' ' VAL . 0.9 OUTLIER -65.88 -41.68 91.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.557 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.68 -43.76 93.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.559 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.25 -43.87 98.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.558 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 92.1 t -67.82 -44.16 85.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.511 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.416 ' CD1' ' NE2' ' A' ' 5' ' ' GLN . 49.6 mt -64.4 -40.51 89.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.534 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.79 -36.87 84.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.543 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 50.3 mt -71.54 -40.26 70.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.559 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.541 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 6.9 m-30 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.546 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.66 ' O ' HD21 ' A' ' 76' ' ' LEU . 96.0 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.817 0.341 . . . . 0.0 110.561 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.521 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 46.7 pttt -121.84 165.73 15.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.604 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.521 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 63.9 mt-30 -157.08 130.33 7.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.547 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.48 128.95 34.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.625 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 58.9 t -131.82 127.43 58.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.598 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -75.26 134.61 41.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.558 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.43 ' HB ' ' O ' ' A' ' 61' ' ' ARG . 14.1 mm . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.598 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo . . . . . 0 N--CA 1.491 1.364 0 CA-C-O 120.796 0.248 . . . . 0.0 112.067 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.52 ' CB ' HD22 ' A' ' 52' ' ' LEU . . . -57.09 -52.09 66.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.442 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 63.4 mtt -61.81 -43.11 99.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.489 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -64.31 -37.43 87.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.458 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 mt -53.77 -43.91 69.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.475 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -55.59 -40.72 72.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.467 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -71.63 -35.44 70.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.519 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.0 mt -67.12 -42.13 85.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.499 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 31.2 mtp -56.66 -36.66 69.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.503 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -72.22 -34.91 68.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.515 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.92 -35.97 26.43 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.497 ' N ' ' CD2' ' A' ' 30' ' ' PHE . 6.2 m-30 -97.57 153.18 18.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.768 0.318 . . . . 0.0 110.576 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -100.33 94.36 6.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.552 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.721 ' HB2' ' HA3' ' A' ' 69' ' ' GLY . . . 168.91 151.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.558 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -96.41 133.05 41.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.614 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 70.5 t -104.13 143.08 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.58 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tt -137.78 133.19 33.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.572 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 mt -118.94 148.77 42.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.594 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.461 ' HE ' ' HB2' ' A' ' 64' ' ' GLU . 21.7 ptt180 -157.95 142.24 16.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.574 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -88.82 161.28 16.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.569 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -60.51 -28.58 68.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.524 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.729 ' OE2' ' NH2' ' A' ' 61' ' ' ARG . 94.9 mt-10 -62.19 -18.04 59.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.61 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.44 7.77 39.26 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.8 m -82.06 111.68 18.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 0.0 110.549 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -81.59 106.24 13.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.571 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.436 ' CB ' ' HB2' ' A' ' 51' ' ' ALA . . . -97.25 83.49 3.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.502 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.513 ' C ' ' H ' ' A' ' 47' ' ' ASN . 96.3 mt-10 -39.27 121.27 1.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.559 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.63 8.57 0.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.556 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.569 ' OD1' ' N ' ' A' ' 47' ' ' ASN . 0.2 OUTLIER -128.1 33.78 4.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.55 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.3 t -149.8 129.19 12.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.624 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.5 m -65.92 -32.26 57.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.569 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 87.4 mt -60.63 -38.6 78.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.585 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.436 ' HB2' ' CB ' ' A' ' 44' ' ' ALA . . . -67.89 -38.42 82.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.552 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.52 HD22 ' CB ' ' A' ' 20' ' ' ALA . 53.3 tp -58.58 -40.83 84.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.619 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.7 tp -60.04 -38.26 82.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.553 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 89.3 mtp -69.93 -35.84 74.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.636 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.7 mt -64.75 -27.07 68.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.604 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -53.8 -36.74 62.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.558 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 96.6 p -77.55 1.67 18.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.538 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.75 23.56 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.56 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -71.57 97.01 1.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.519 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 103.71 5.65 44.66 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.729 ' NH2' ' OE2' ' A' ' 40' ' ' GLU . 7.3 mtp180 -108.38 160.13 16.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.793 0.33 . . . . 0.0 110.564 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -94.21 145.39 24.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.537 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 25.3 pt -133.2 163.12 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.557 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.461 ' HB2' ' HE ' ' A' ' 37' ' ' ARG . 10.5 mt-10 -121.49 106.93 11.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.539 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.444 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 4.7 t -86.34 125.2 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.523 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 72.9 tt0 -126.56 143.13 51.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.575 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -143.7 145.85 32.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.554 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 29.8 m -135.29 131.34 36.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.557 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.721 ' HA3' ' HB2' ' A' ' 32' ' ' ALA . . . 141.08 165.73 10.44 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -47.71 -43.19 29.19 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.812 2.341 . . . . 0.0 112.189 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -106.03 29.02 7.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.522 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.459 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 12.4 pt-20 -57.96 -37.89 75.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.505 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.467 ' HG3' ' H ' ' A' ' 74' ' ' GLU . 2.9 pt-20 -64.76 -46.22 83.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.54 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.467 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 74.2 tt0 -53.39 -51.98 60.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.681 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.49 -47.56 57.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.577 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.66 HD21 ' O ' ' A' ' 3' ' ' VAL . 2.0 mp -65.87 -41.17 91.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.548 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.66 -43.36 93.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.593 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.19 -43.74 97.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.481 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 86.5 t -70.15 -46.55 71.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.494 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 42.5 mt -63.44 -39.45 85.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.473 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.5 -32.59 73.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.509 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.55 -47.54 75.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.526 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.622 ' CD2' ' N ' ' A' ' 83' ' ' PHE . 2.5 m-30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.497 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 86.8 t . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.725 0.298 . . . . 0.0 110.578 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 46.4 pttt -124.88 172.38 9.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.573 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.86 130.14 2.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.58 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.33 130.0 35.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.623 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.9 p -138.6 133.28 42.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.559 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.436 ' OE1' ' N ' ' A' ' 8' ' ' GLU . 31.0 mp0 -74.61 134.55 42.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.577 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.7 mm . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.506 179.936 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo . . . . . 0 N--CA 1.491 1.351 0 CA-C-O 120.838 0.266 . . . . 0.0 112.145 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.591 ' CB ' HD13 ' A' ' 52' ' ' LEU . . . -65.01 -42.73 94.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.521 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 46.8 mtt -67.48 -45.95 74.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.582 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.9 tttt -60.74 -38.98 86.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.486 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 mt -48.75 -43.11 37.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.574 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -57.23 -40.18 77.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.589 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -70.39 -34.89 73.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.53 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.617 ' O ' ' N ' ' A' ' 30' ' ' PHE . 5.2 mp -66.98 -41.16 87.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.597 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.506 ' HG2' ' N ' ' A' ' 28' ' ' GLN . 1.9 ptt? -56.58 -34.7 67.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.526 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.506 ' N ' ' HG2' ' A' ' 27' ' ' MET . 58.2 tt0 -67.75 -41.67 82.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.647 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.15 -20.71 37.91 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.617 ' N ' ' O ' ' A' ' 26' ' ' LEU . 16.3 m-85 -99.38 126.07 45.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.751 0.31 . . . . 0.0 110.601 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.654 ' H ' ' NE2' ' A' ' 71' ' ' GLN . 84.5 m-20 -84.57 96.49 9.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.566 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 68' ' ' THR . . . 163.08 150.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.557 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -95.31 134.72 37.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.676 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 m -107.18 144.27 16.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.497 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.5 tt -145.13 130.64 18.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.621 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.412 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 6.6 mt -107.1 153.18 23.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.533 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 54.7 mtp180 -149.07 134.26 18.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.548 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -93.6 157.6 16.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.572 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 65.8 t0 -51.57 -31.83 26.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.593 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.9 mp0 -68.16 -5.07 16.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.522 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.71 20.66 63.24 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.5 m -87.22 113.69 23.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.763 0.316 . . . . 0.0 110.559 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -73.81 105.38 5.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.557 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.21 76.65 2.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.526 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -41.8 121.64 1.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.553 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.63 -3.18 10.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.487 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -108.48 19.68 19.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.541 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.0 m -136.92 130.12 31.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.594 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.0 m -67.22 -33.16 61.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.486 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 86.6 mt -60.77 -38.17 78.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.602 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.52 -41.2 84.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.549 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.591 HD13 ' CB ' ' A' ' 20' ' ' ALA . 42.6 tp -55.83 -39.45 71.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.596 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.3 mt -64.08 -39.49 94.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.589 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 21.8 mmt -66.68 -36.63 82.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.518 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.4 mt -63.37 -35.86 81.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.523 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -50.84 -34.66 28.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.48 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 87.5 p -73.75 -9.2 58.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.488 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -84.18 30.48 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.557 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -71.02 99.77 1.87 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.548 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 102.21 1.51 51.13 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 83.2 mtt-85 -100.6 168.8 9.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.832 0.348 . . . . 0.0 110.568 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -99.26 143.0 30.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.594 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 30.3 pt -131.86 163.3 37.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.542 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -123.32 102.22 7.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.598 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.6 t -82.52 130.94 34.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.574 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -128.13 141.16 51.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.565 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.64 142.02 35.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.638 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.506 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 31.1 m -129.41 141.57 51.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.578 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.475 ' HA3' ' HB1' ' A' ' 32' ' ' ALA . . . 129.94 -179.15 17.02 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.546 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 51.6 Cg_endo -73.01 -25.27 16.43 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.834 2.356 . . . . 0.0 112.176 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.654 ' NE2' ' H ' ' A' ' 31' ' ' ASP . 74.5 mt-30 -105.64 3.88 29.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.574 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.514 ' CG ' ' N ' ' A' ' 73' ' ' GLU . 14.2 pt-20 -46.41 -46.82 18.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.642 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.514 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 93.6 mt-10 -59.19 -47.57 84.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.596 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -64.94 -48.26 74.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.545 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.3 -46.31 83.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.605 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 58.3 tp -62.11 -42.41 99.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.611 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.64 -40.66 88.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.528 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.71 -45.49 89.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.558 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 99.4 t -66.82 -43.75 89.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.547 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 53.6 mt -65.52 -39.5 85.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.586 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.83 -34.96 78.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.586 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.9 mt -70.31 -40.83 74.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.649 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.605 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 5.4 m-30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.546 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.4 t . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.753 0.311 . . . . 0.0 110.58 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 48.5 pttt -124.24 175.39 7.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.602 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -165.81 131.53 2.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.508 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.76 125.52 30.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.636 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 95.5 t -129.61 129.64 66.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.547 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.7 mp0 -72.45 138.19 46.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.584 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 15.3 mm . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.602 179.956 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo . . . . . 0 N--CA 1.491 1.367 0 CA-C-O 120.837 0.265 . . . . 0.0 112.094 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.583 ' CB ' HD11 ' A' ' 52' ' ' LEU . . . -60.42 -43.51 96.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.535 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 52.0 mtt -66.34 -44.61 82.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.625 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -61.33 -38.16 85.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.512 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 mt -47.0 -46.07 21.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.551 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.426 ' CE1' ' O ' ' A' ' 46' ' ' ALA . 9.2 m-85 -56.01 -37.35 69.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.487 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -75.41 -35.56 60.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.552 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.457 HD21 ' CE1' ' A' ' 30' ' ' PHE . 93.9 mt -62.75 -43.98 97.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.506 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 78.5 mtp -57.51 -33.94 68.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.492 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -77.07 -43.94 32.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.557 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.12 -40.52 82.78 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.533 ' N ' ' CD2' ' A' ' 30' ' ' PHE . 4.0 m-30 -96.45 163.5 13.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.758 0.313 . . . . 0.0 110.548 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -104.94 92.32 4.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.538 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.632 ' HB3' ' HA3' ' A' ' 69' ' ' GLY . . . 172.22 155.51 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.604 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 68' ' ' THR . 85.2 tt0 -100.43 133.33 45.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.546 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 97.6 t -109.76 138.58 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.507 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 tt -136.81 134.29 36.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.659 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 32.4 mt -109.1 150.37 27.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.593 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -151.62 137.44 18.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.637 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.517 ' OD1' ' CD2' ' A' ' 55' ' ' LEU . 75.7 m-20 -91.27 154.77 19.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.543 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 56.1 t0 -55.47 -26.75 44.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.627 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.427 ' HG3' HH11 ' A' ' 61' ' ' ARG . 95.6 mt-10 -66.46 -18.53 65.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.549 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.29 8.51 38.24 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 77.9 m -83.67 114.14 21.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.79 0.329 . . . . 0.0 110.512 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -82.87 105.38 13.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.593 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 45' ' ' GLU . . . -95.51 70.55 3.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.506 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.566 ' HB3' HD21 ' A' ' 47' ' ' ASN . 91.7 mt-10 -38.27 120.95 0.94 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.528 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.426 ' O ' ' CE1' ' A' ' 24' ' ' PHE . . . -62.4 0.12 0.5 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.569 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.566 HD21 ' HB3' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -110.23 25.54 11.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.575 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.35 123.86 14.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.47 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.0 m -64.81 -36.67 78.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.591 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 81.4 mt -62.49 -35.92 72.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.529 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.37 -42.99 92.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.578 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.583 HD11 ' CB ' ' A' ' 20' ' ' ALA . 49.5 tp -60.51 -40.19 90.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.582 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.66 -30.66 71.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.576 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 47.0 tpp -72.81 -36.02 67.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.544 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.517 ' CD2' ' OD1' ' A' ' 38' ' ' ASN . 96.0 mt -64.89 -18.46 65.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.585 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -54.63 -37.73 66.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.621 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 71.8 m -78.95 0.38 27.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.594 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -85.0 30.04 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.628 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.9 pttp -75.35 96.92 3.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.539 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 106.23 7.27 35.44 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.427 HH11 ' HG3' ' A' ' 40' ' ' GLU . 62.7 mtp85 -107.93 159.71 16.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 110.515 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -93.85 143.34 26.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.601 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 42.7 pt -129.8 163.39 35.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.56 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -122.15 100.55 7.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.556 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.8 t -83.17 128.04 39.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.535 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -123.64 139.52 53.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.585 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -135.88 133.02 37.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.572 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 33' ' ' GLU . 25.9 m -127.42 132.2 50.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.593 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.632 ' HA3' ' HB3' ' A' ' 32' ' ' ALA . . . 140.31 166.05 10.52 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -47.38 -42.51 27.96 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.781 2.321 . . . . 0.0 112.154 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -101.93 22.31 13.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.568 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.426 ' CG ' ' N ' ' A' ' 73' ' ' GLU . 22.4 pt-20 -49.79 -41.34 44.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.518 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.426 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 93.1 mt-10 -64.08 -46.4 84.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.621 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -56.83 -49.39 75.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.569 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.56 -46.51 80.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.542 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 43.7 tp -64.59 -44.11 91.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.494 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.7 -42.66 97.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.505 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.16 -43.66 98.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.57 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 57.9 t -67.05 -43.74 88.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.584 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 43.0 mt -64.37 -40.61 89.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.555 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.21 -34.59 76.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.536 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -72.5 -41.0 66.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.486 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.586 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 5.8 m-30 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.591 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.773 ' O ' HD11 ' A' ' 76' ' ' LEU . 83.7 t . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.729 0.3 . . . . 0.0 110.516 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.507 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 11.3 pttm -119.29 164.9 14.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.632 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.507 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 55.6 mt-30 -156.56 129.16 7.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.533 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.77 126.15 30.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.512 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 92.3 t -130.28 131.62 65.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.588 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -77.09 133.02 39.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.441 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.588 HG21 ' H ' ' A' ' 60' ' ' GLY . 4.3 mm . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.624 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_exo . . . . . 0 N--CA 1.49 1.302 0 CA-C-O 120.8 0.25 . . . . 0.0 112.078 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.48 -47.46 85.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.527 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 65.2 mtt -65.23 -41.44 94.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.483 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.4 mttm -62.95 -37.34 86.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.499 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 mt -48.71 -45.79 39.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.433 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.434 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 16.6 m-85 -55.85 -42.42 75.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.44 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -70.91 -38.11 72.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.419 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' A' ' 30' ' ' PHE . 93.5 mt -63.35 -42.91 98.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.407 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 77.1 mtp -56.92 -36.66 70.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.517 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -63.7 -42.08 98.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.476 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -89.09 -20.54 45.67 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.553 ' N ' ' O ' ' A' ' 26' ' ' LEU . 9.5 m-85 -99.57 125.93 45.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.773 0.32 . . . . 0.0 110.576 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.572 ' N ' ' OE1' ' A' ' 71' ' ' GLN . 83.7 m-20 -81.17 95.51 6.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.488 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 31' ' ' ASP . . . 163.48 153.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.59 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -99.09 125.86 44.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.549 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 73.1 t -103.84 137.2 33.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.519 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.0 tt -137.66 136.71 37.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.582 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.2 mt -107.7 148.41 29.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.604 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.0 ttp85 -147.52 134.84 20.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.527 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -89.66 156.9 18.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.602 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -54.37 -26.68 31.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.522 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -67.52 -9.93 46.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.616 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.65 14.24 58.52 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.8 m -86.29 117.52 25.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.786 0.327 . . . . 0.0 110.563 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -79.88 105.92 11.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.541 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -97.09 75.79 2.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.587 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -40.31 120.95 1.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.55 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.434 ' O ' ' CZ ' ' A' ' 24' ' ' PHE . . . -65.91 -14.42 61.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.562 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.504 ' OD1' ' O ' ' A' ' 47' ' ' ASN . 28.0 t-20 -99.17 30.34 3.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.557 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.0 t -146.1 126.1 13.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.555 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.8 m -66.4 -31.91 55.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.542 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 86.0 mt -60.97 -39.48 82.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.519 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.09 -42.24 80.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.579 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.6 mp -56.58 -39.62 73.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.594 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.8 mt -68.18 -31.84 71.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.569 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 14.6 tpt -72.26 -34.8 68.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.53 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.5 mt -65.78 -23.21 66.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.591 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -52.99 -35.75 59.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.539 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.429 ' C ' ' H ' ' A' ' 59' ' ' LYS . 92.8 p -74.94 -9.62 58.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.516 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.408 ' O ' ' CG2' ' A' ' 9' ' ' ILE . . . -80.68 30.92 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.533 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.429 ' H ' ' C ' ' A' ' 57' ' ' SER . 2.9 ptmm? -73.78 97.49 2.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.559 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.588 ' H ' HG21 ' A' ' 9' ' ' ILE . . . 103.29 4.87 46.89 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.442 ' O ' ' HB ' ' A' ' 9' ' ' ILE . 83.4 mtt-85 -102.11 167.12 10.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.758 0.313 . . . . 0.0 110.525 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -99.05 143.52 29.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.511 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 17.8 pt -132.77 160.52 42.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.637 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -121.41 100.69 7.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.549 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 17.2 t -78.7 128.97 38.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.498 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 73.4 tt0 -123.5 136.72 54.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.643 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.56 137.2 39.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.498 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.419 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 89.5 m -124.98 138.27 54.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.612 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 132.4 -177.92 18.41 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.497 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 44.6 Cg_endo -71.77 -26.82 18.77 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.806 2.337 . . . . 0.0 112.14 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.572 ' OE1' ' N ' ' A' ' 31' ' ' ASP . 51.0 mt-30 -104.76 9.43 34.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.503 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.496 ' CG ' ' N ' ' A' ' 73' ' ' GLU . 20.7 pt-20 -48.82 -48.97 41.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.569 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.496 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 2.8 pt-20 -62.0 -39.59 92.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.479 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -67.67 -49.53 62.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.564 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.78 -44.44 70.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.582 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.773 HD11 ' O ' ' A' ' 3' ' ' VAL . 76.9 mt -63.05 -41.54 99.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.494 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.79 -44.25 90.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.49 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.23 -42.95 96.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.45 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 61.9 t -68.49 -45.98 81.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.472 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 57.6 mt -63.02 -41.57 93.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.469 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.31 -35.95 82.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.428 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 19.5 mt -72.63 -38.36 67.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.426 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.519 179.903 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.1 t . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.753 0.311 . . . . 0.0 110.509 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.1 166.28 16.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.639 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.422 ' OE1' HD12 ' A' ' 80' ' ' ILE . 53.7 tt0 -169.77 135.44 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.551 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.531 ' H ' ' HG1' ' A' ' 6' ' ' THR . 0.1 OUTLIER -79.8 135.05 36.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.566 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 86.7 t -135.03 127.38 48.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.675 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -71.2 131.57 43.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.49 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.565 ' CG2' ' O ' ' A' ' 58' ' ' ALA . 4.9 mm . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.71 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo . . . . . 0 N--CA 1.491 1.341 0 CA-C-O 120.783 0.243 . . . . 0.0 112.064 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.6 -51.13 70.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.494 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 20.1 mmt -62.16 -40.87 97.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.41 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -66.42 -37.26 84.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.503 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 mt -49.1 -45.63 43.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.459 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.511 ' CE1' ' O ' ' A' ' 46' ' ' ALA . 8.8 m-85 -57.58 -42.61 83.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.38 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -71.54 -38.5 71.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.376 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.508 ' O ' ' N ' ' A' ' 30' ' ' PHE . 78.5 mt -64.4 -40.9 96.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.461 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 14.7 mtm -56.45 -36.97 69.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.531 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -61.02 -41.76 97.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.511 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.98 -18.8 45.54 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.508 ' N ' ' O ' ' A' ' 26' ' ' LEU . 9.5 m-85 -99.69 119.99 38.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.795 0.331 . . . . 0.0 110.514 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.476 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 66.7 t0 -78.47 98.94 6.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.578 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.549 ' HB3' ' HA3' ' A' ' 69' ' ' GLY . . . 161.63 152.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.561 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -98.23 132.8 43.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.574 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 52.2 t -105.7 139.49 26.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.557 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.442 HD22 ' CD ' ' A' ' 37' ' ' ARG . 1.3 tt -137.74 126.68 24.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.504 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.0 mp -106.91 153.53 22.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.665 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.442 ' CD ' HD22 ' A' ' 35' ' ' LEU . 83.7 mtm180 -147.34 132.13 17.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.501 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -86.42 156.24 20.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.601 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -53.59 -36.75 62.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.543 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -65.22 -6.29 9.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.513 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.85 18.44 56.26 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 21.2 m -83.33 110.52 18.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.341 . . . . 0.0 110.562 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -70.68 105.2 3.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.547 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -100.91 72.16 1.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.576 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 55.1 mp0 -39.35 120.43 1.04 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.587 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.511 ' O ' ' CE1' ' A' ' 24' ' ' PHE . . . -58.05 -15.54 9.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.52 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.457 ' OD1' ' O ' ' A' ' 47' ' ' ASN . 29.0 t-20 -104.84 46.22 0.93 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.58 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.2 t -157.04 121.08 4.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.586 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.1 m -64.8 -33.81 65.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.556 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 86.4 mt -62.4 -37.1 77.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.451 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.48 -42.57 87.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.585 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 45.9 tp -57.93 -39.71 78.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.569 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.78 -35.61 81.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.588 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -37.96 80.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.552 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.33 -21.91 66.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.602 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -50.72 -37.38 41.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.533 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.467 ' C ' ' H ' ' A' ' 59' ' ' LYS . 88.7 p -76.45 -6.53 52.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.584 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.565 ' O ' ' CG2' ' A' ' 9' ' ' ILE . . . -78.29 30.73 0.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.596 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.467 ' H ' ' C ' ' A' ' 57' ' ' SER . 65.8 tttm -74.36 96.05 2.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.54 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.467 ' H ' HG21 ' A' ' 9' ' ' ILE . . . 102.51 4.62 49.48 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.417 ' O ' ' HB ' ' A' ' 9' ' ' ILE . 84.2 mtt-85 -100.37 169.2 9.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.811 0.339 . . . . 0.0 110.574 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -101.2 143.48 31.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.509 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 15.7 pt -132.75 158.65 43.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.638 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -117.52 103.99 10.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.541 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.2 t -85.86 126.73 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.553 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -124.42 140.09 53.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.599 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 72' ' ' GLU . . . -136.83 134.04 36.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.586 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 37.3 m -127.03 130.06 49.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.597 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.549 ' HA3' ' HB3' ' A' ' 32' ' ' ALA . . . 138.92 168.34 11.22 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -48.1 -41.35 33.87 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.864 2.376 . . . . 0.0 112.129 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -100.73 21.23 13.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.582 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.461 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 23.6 pt-20 -53.06 -45.88 68.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.491 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.446 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 22.9 pt-20 -68.32 -36.78 79.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.613 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -64.75 -51.72 60.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.577 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.95 -43.99 73.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.54 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.3 tp -62.18 -44.99 95.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.534 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.83 -43.23 94.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.538 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.8 -44.43 96.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.524 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 58.7 t -66.81 -44.79 88.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.467 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.422 HD12 ' OE1' ' A' ' 5' ' ' GLN . 56.5 mt -63.13 -41.8 94.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.491 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.83 -35.65 80.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.445 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.5 mt -73.0 -41.14 64.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.407 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.484 179.936 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.53 ' CG2' ' O ' ' A' ' 67' ' ' ALA . 3.2 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.797 0.332 . . . . 0.0 110.559 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -119.44 143.86 47.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.627 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.417 ' NE2' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -146.06 132.68 19.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.54 179.917 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.513 ' H ' ' HG1' ' A' ' 6' ' ' THR . 0.1 OUTLIER -86.16 127.96 34.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.652 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 85.3 t -128.81 130.36 68.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.508 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.488 ' OE1' ' N ' ' A' ' 8' ' ' GLU . 41.6 mp0 -79.72 127.95 32.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.613 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.463 ' CG2' ' O ' ' A' ' 58' ' ' ALA . 5.3 mm . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.545 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo . . . . . 0 N--CA 1.491 1.348 0 CA-C-O 120.804 0.252 . . . . 0.0 112.059 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.92 -39.92 93.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.473 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 13.1 mmt -68.58 -44.67 73.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.515 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -62.74 -37.16 85.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.579 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 mt -44.6 -45.96 9.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.562 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.615 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 6.3 m-85 -53.04 -36.91 61.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.501 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -79.22 -33.32 43.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.446 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.553 HD23 ' CE1' ' A' ' 30' ' ' PHE . 72.6 mt -60.29 -49.87 75.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.506 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.572 ' HG3' ' N ' ' A' ' 28' ' ' GLN . 1.8 ppp? -53.15 -28.47 26.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.541 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.572 ' N ' ' HG3' ' A' ' 27' ' ' MET . 8.5 tp-100 -82.62 -43.61 16.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.508 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.72 -34.68 62.59 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.553 ' CE1' HD23 ' A' ' 26' ' ' LEU . 6.4 m-85 -103.57 146.81 27.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.771 0.32 . . . . 0.0 110.629 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -91.0 94.96 9.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.499 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.755 ' HB1' ' HA3' ' A' ' 69' ' ' GLY . . . 168.89 157.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.615 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -101.79 130.38 48.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.588 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 22.8 m -108.58 145.63 15.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.543 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.3 tt -146.34 140.38 26.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.601 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.8 mp -109.72 147.81 32.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.531 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.503 HH11 ' CG ' ' A' ' 43' ' ' GLU . 19.7 ttm180 -146.93 134.27 20.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.559 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -94.97 161.04 14.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.569 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -52.52 -34.06 48.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.536 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.499 ' OE2' ' CZ ' ' A' ' 61' ' ' ARG . 98.3 mt-10 -65.1 -9.81 25.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.54 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.64 7.5 66.66 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.4 m -77.15 112.08 13.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.816 0.341 . . . . 0.0 110.576 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.503 ' CG ' HH11 ' A' ' 37' ' ' ARG . 99.8 mt-10 -76.75 100.22 5.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.635 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -84.41 57.56 4.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.569 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.423 ' HB3' HD21 ' A' ' 47' ' ' ASN . 13.0 mp0 -41.08 120.54 1.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.571 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.615 ' O ' ' CZ ' ' A' ' 24' ' ' PHE . . . -58.46 -30.18 66.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.56 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.435 ' O ' ' CG ' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -74.99 22.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.558 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.511 ' H ' ' C ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -142.95 121.16 12.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.518 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.6 m -64.94 -36.48 77.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.56 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 81.6 mt -61.87 -35.42 67.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.674 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.64 -43.96 87.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.607 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.9 mp -58.49 -35.41 72.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.599 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.1 -33.78 75.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.589 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 22.0 mmt -69.08 -35.7 76.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.572 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.3 mt -62.72 -25.4 68.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.603 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -53.32 -35.12 59.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.616 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.1 m -82.5 1.83 35.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.561 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.463 ' O ' ' CG2' ' A' ' 9' ' ' ILE . . . -84.88 28.39 0.69 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.653 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -75.52 96.35 3.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.531 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 106.84 4.84 36.25 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.499 ' CZ ' ' OE2' ' A' ' 40' ' ' GLU . 95.1 mtt180 -107.34 162.73 13.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.818 0.342 . . . . 0.0 110.597 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -99.64 148.02 24.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.569 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 15.1 pt -134.71 160.18 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.565 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -119.53 102.56 8.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.541 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 25.4 t -81.92 122.46 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.574 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 53.7 tt0 -115.69 135.37 54.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.531 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.53 ' O ' ' CG2' ' A' ' 3' ' ' VAL . . . -135.53 131.53 36.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.569 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 37.3 m -124.62 130.32 52.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.569 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.755 ' HA3' ' HB1' ' A' ' 32' ' ' ALA . . . 141.27 163.8 9.7 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -47.36 -48.44 15.16 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.809 2.339 . . . . 0.0 112.183 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 74' ' ' GLU . 77.3 mt-30 -92.94 7.86 42.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.563 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.514 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 25.4 pt-20 -39.35 -35.89 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.566 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -66.17 -46.51 77.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.587 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 71' ' ' GLN . 74.5 tt0 -55.54 -51.88 65.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.563 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.85 -48.39 70.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.549 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.48 HD12 ' O ' ' A' ' 3' ' ' VAL . 1.4 mt -64.72 -44.73 89.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.493 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.47 -42.43 99.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.584 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.49 -44.82 93.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.487 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 82.2 t -66.89 -43.62 89.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.531 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 55.5 mt -64.04 -42.13 94.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.576 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.58 -35.1 78.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.522 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -73.53 -39.43 64.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.459 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.535 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.3 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.822 0.344 . . . . 0.0 110.541 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 1.3 pttm -126.0 167.02 15.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.6 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.427 ' NE2' HD11 ' A' ' 80' ' ' ILE . 3.8 tt0 -168.76 135.34 1.84 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.525 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.07 134.11 35.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.598 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 71.7 t -136.3 126.81 41.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.574 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -71.83 130.66 41.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.664 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.455 HG23 ' H ' ' A' ' 60' ' ' GLY . 6.3 mm . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.561 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo . . . . . 0 N--CA 1.491 1.354 0 CA-C-O 120.817 0.257 . . . . 0.0 112.077 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.485 ' CB ' HD13 ' A' ' 52' ' ' LEU . . . -61.11 -46.29 91.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.481 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 68.2 mtp -63.25 -45.73 90.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.499 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -64.39 -39.14 93.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.442 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 mt -49.04 -45.3 42.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.525 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.53 ' CE1' ' O ' ' A' ' 46' ' ' ALA . 3.8 m-85 -55.58 -38.21 69.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.459 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -73.5 -35.41 65.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.451 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.558 HD23 ' CE1' ' A' ' 30' ' ' PHE . 66.1 mt -62.43 -44.21 96.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.47 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 48.2 mmm -56.06 -32.16 63.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.492 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -80.56 -43.21 21.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.534 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.78 -40.04 75.96 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.558 ' CE1' HD23 ' A' ' 26' ' ' LEU . 5.7 m-30 -98.82 158.6 15.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.791 0.329 . . . . 0.0 110.479 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -103.17 92.95 4.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.527 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.516 ' HB1' ' HA3' ' A' ' 69' ' ' GLY . . . 174.49 154.36 0.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.552 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -99.54 127.38 45.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.601 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 81.8 t -106.67 138.32 32.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.583 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.7 tt -137.53 132.39 33.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.558 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.5 mt -107.18 150.58 26.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.555 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.8 ttp180 -150.87 135.94 17.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.617 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.439 ' OD1' ' CD2' ' A' ' 55' ' ' LEU . 93.2 m-20 -89.09 154.46 20.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.599 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.406 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 39.9 p-10 -56.28 -22.93 33.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.576 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -69.72 -17.49 63.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.598 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 102.56 10.09 39.17 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.4 m -86.96 116.28 24.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.824 0.345 . . . . 0.0 110.519 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -79.43 105.65 10.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.55 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 45' ' ' GLU . . . -93.66 64.75 3.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.557 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.446 ' HG2' ' H ' ' A' ' 47' ' ' ASN . 72.3 tt0 -39.24 120.94 1.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.562 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.53 ' O ' ' CE1' ' A' ' 24' ' ' PHE . . . -59.27 -7.68 1.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.538 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.469 ' OD1' ' O ' ' A' ' 47' ' ' ASN . 28.7 t-20 -108.0 42.7 1.31 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.577 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.63 124.44 5.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.571 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.5 m -64.3 -38.95 83.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.559 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 88.3 mt -61.05 -35.92 68.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.623 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.36 -41.66 93.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.631 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.485 HD13 ' CB ' ' A' ' 20' ' ' ALA . 44.1 tp -59.97 -39.55 86.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.564 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.5 mt -63.76 -36.33 83.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.591 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 59.4 mtt -67.21 -38.72 85.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.539 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.439 ' CD2' ' OD1' ' A' ' 38' ' ' ASN . 96.6 mt -61.78 -26.95 68.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.488 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -53.71 -38.12 63.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.548 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 44.6 t -76.9 1.67 16.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.578 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.442 ' O ' ' CG2' ' A' ' 9' ' ' ILE . . . -90.02 30.57 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.556 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -75.44 95.41 3.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.571 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.455 ' H ' HG23 ' A' ' 9' ' ' ILE . . . 105.52 4.69 40.15 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -104.09 167.79 9.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.766 0.317 . . . . 0.0 110.581 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -99.88 142.15 31.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.626 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.1 pt -130.06 163.49 35.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.588 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -120.72 108.02 13.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.547 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 94.1 t -89.88 126.18 42.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.613 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -122.2 138.07 54.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.555 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.1 134.44 34.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.494 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 29.8 m -131.05 132.37 44.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.491 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.516 ' HA3' ' HB1' ' A' ' 32' ' ' ALA . . . 141.37 167.12 11.04 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -47.87 -43.96 28.28 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.84 2.36 . . . . 0.0 112.123 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -106.18 30.33 6.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.595 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.473 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 14.4 pt-20 -59.39 -38.08 79.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.565 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -64.06 -47.27 80.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.52 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -55.05 -51.04 67.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.519 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.04 -47.69 68.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.535 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.0 -44.74 95.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.514 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.85 -43.14 94.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.542 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.99 -43.3 99.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.531 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.9 t -67.25 -44.69 87.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.477 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.427 HD11 ' NE2' ' A' ' 5' ' ' GLN . 45.2 mt -63.12 -40.72 90.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.47 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.96 -34.6 76.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.509 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -70.89 -40.66 72.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.527 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.533 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 7.6 m-30 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.548 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.503 HG11 ' O ' ' A' ' 3' ' ' VAL . 13.5 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.852 0.358 . . . . 0.0 110.627 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 3.9 pttm -123.27 168.38 12.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.515 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -165.62 134.22 3.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.612 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.19 127.2 32.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.618 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.2 t -123.41 130.27 74.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.47 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -86.72 122.7 30.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.552 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.462 HG23 HD12 ' A' ' 9' ' ' ILE . 65.1 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.576 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' A' ' 23' ' ' LEU . 47.5 Cg_endo . . . . . 0 N--CA 1.491 1.331 0 CA-C-O 120.743 0.226 . . . . 0.0 112.093 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.468 ' O ' ' HB2' ' A' ' 23' ' ' LEU . . . -48.41 -53.12 18.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.477 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 44.8 mtm -63.54 -50.42 69.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.473 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -59.35 -33.17 70.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.497 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.468 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 2.7 mt -48.82 -51.54 28.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.465 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -51.9 -41.82 62.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.416 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -75.76 -35.25 60.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.462 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.2 tp -63.83 -42.81 97.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.506 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.452 ' O ' ' O ' ' A' ' 30' ' ' PHE . 84.6 mtp -58.09 -32.65 68.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.527 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -66.19 -42.93 88.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.486 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.57 -32.31 34.29 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.452 ' O ' ' O ' ' A' ' 27' ' ' MET . 7.4 m-30 -93.61 133.04 37.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.752 0.311 . . . . 0.0 110.517 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.765 ' O ' ' HD2' ' A' ' 70' ' ' PRO . 84.9 m-20 -85.04 91.17 8.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.58 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.472 ' CB ' ' O ' ' A' ' 68' ' ' THR . . . 170.77 156.35 0.07 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.547 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -102.93 131.99 49.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.512 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 90.9 t -107.46 137.0 40.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.546 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.0 tt -134.57 131.98 38.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.532 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.2 mt -106.41 148.84 27.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.636 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.598 HH11 ' CG ' ' A' ' 43' ' ' GLU . 19.8 ttm180 -147.35 134.25 20.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.497 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.412 ' OD1' ' CD2' ' A' ' 55' ' ' LEU . 93.4 m-20 -91.36 157.89 16.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.639 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 59.5 t0 -53.48 -28.76 32.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.611 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -67.83 -11.73 59.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.582 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.69 14.91 57.59 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.4 m -84.03 114.56 21.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.778 0.323 . . . . 0.0 110.496 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.598 ' CG ' HH11 ' A' ' 37' ' ' ARG . 98.6 mt-10 -74.55 104.92 5.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.577 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -96.06 68.28 2.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.532 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.573 ' HB3' HD21 ' A' ' 47' ' ' ASN . 93.9 mt-10 -40.36 120.86 1.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.623 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.48 13.19 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.547 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.573 HD21 ' HB3' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -117.62 19.07 14.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.625 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.2 t -143.8 129.93 19.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.597 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.0 m -64.23 -31.36 53.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.597 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 83.7 mt -61.81 -39.61 84.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.637 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.71 -41.33 88.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.568 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.8 mt -58.76 -36.85 75.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.605 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -67.37 -36.15 80.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.547 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 60.7 mtt -67.47 -39.15 85.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.525 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 58' ' ' ALA . 96.5 mt -61.18 -36.95 81.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.546 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.408 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 66.3 t0 -48.67 -34.52 12.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.554 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.444 ' C ' ' H ' ' A' ' 59' ' ' LYS . 89.6 p -77.02 -7.68 56.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.533 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 55' ' ' LEU . . . -79.65 28.86 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.544 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.444 ' H ' ' C ' ' A' ' 57' ' ' SER . 28.7 pttt -70.43 98.2 1.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.616 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.11 0.74 41.52 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 65.3 mtp85 -103.78 160.83 14.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 0.0 110.581 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -92.89 147.32 22.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.613 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 16.4 pt -132.83 159.71 43.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.557 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -119.64 97.54 5.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.566 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 14.9 t -79.0 128.36 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.576 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -126.94 140.51 52.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.472 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.09 137.46 37.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.579 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.472 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 39.3 m -125.26 142.2 51.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.556 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 127.89 -177.2 17.72 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.765 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 44.3 Cg_endo -71.7 -30.88 13.96 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.828 2.352 . . . . 0.0 112.087 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.715 ' NE2' ' H ' ' A' ' 31' ' ' ASP . 72.9 mt-30 -102.43 9.8 39.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.597 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.448 ' CG ' ' N ' ' A' ' 73' ' ' GLU . 22.3 pt-20 -46.57 -45.63 18.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.518 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.448 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 1.9 pt-20 -60.1 -44.49 94.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.515 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.414 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 90.5 mt-10 -61.58 -49.99 74.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.563 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.09 -47.37 83.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.465 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.4 tp -64.24 -45.97 85.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.519 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.53 -42.3 99.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.505 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.36 -45.32 93.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.478 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 96.8 t -68.08 -45.02 84.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.533 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 59.0 mt -62.55 -44.0 98.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.442 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.85 -34.04 73.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.49 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -74.21 -40.88 62.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.549 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.565 179.852 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 94.1 t . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.778 0.323 . . . . 0.0 110.576 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.6 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 48.3 pttt -123.25 174.52 7.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.645 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.6 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 52.2 mt-30 -163.86 134.58 4.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.479 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.17 124.62 28.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.641 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 93.2 t -125.08 133.21 70.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.512 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.462 ' OE1' ' N ' ' A' ' 8' ' ' GLU . 37.6 mp0 -88.22 128.1 35.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.541 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.521 HG23 ' H ' ' A' ' 60' ' ' GLY . 36.5 mt . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.538 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo . . . . . 0 N--CA 1.491 1.328 0 CA-C-O 120.82 0.258 . . . . 0.0 112.113 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.62 -41.47 96.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.469 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 11.1 mmt -71.04 -48.03 55.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.472 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.8 tttm -61.3 -34.25 74.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.52 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -46.73 -46.03 20.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.499 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.421 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 23.4 m-85 -56.7 -39.55 74.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.483 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -69.97 -37.82 75.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.417 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.614 ' O ' ' N ' ' A' ' 30' ' ' PHE . 5.8 mp -64.55 -43.18 94.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.49 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 83.9 mtp -56.94 -35.92 69.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.489 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -65.1 -41.17 95.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.488 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.15 -19.23 39.96 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.614 ' N ' ' O ' ' A' ' 26' ' ' LEU . 13.2 m-85 -100.73 122.7 43.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.821 0.343 . . . . 0.0 110.538 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.558 ' OD2' ' NE2' ' A' ' 71' ' ' GLN . 11.6 m-20 -79.33 95.35 5.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.596 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.503 ' HB1' ' HA3' ' A' ' 69' ' ' GLY . . . 163.75 153.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.615 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -101.17 129.24 47.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.618 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.6 m -108.1 142.19 21.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.517 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 tt -140.22 138.44 35.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.607 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 mp -109.45 149.87 28.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.602 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -148.85 135.75 19.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.614 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -91.17 157.92 16.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.561 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 59.4 t0 -54.04 -28.2 37.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.591 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.61 ' OE2' ' NH2' ' A' ' 61' ' ' ARG . 43.8 mt-10 -66.56 -9.33 34.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.533 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.41 5.36 65.35 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.6 m -78.01 117.99 19.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.727 0.299 . . . . 0.0 110.59 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.0 pm0 -81.58 103.31 11.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.579 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -90.6 70.29 6.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.535 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -38.8 120.54 0.97 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.574 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.421 ' O ' ' CZ ' ' A' ' 24' ' ' PHE . . . -57.92 -27.58 63.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.511 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -90.8 42.97 1.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.573 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.45 ' HG ' ' H ' ' A' ' 51' ' ' ALA . 4.9 t -154.81 120.58 5.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.551 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.3 m -66.72 -32.51 58.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.629 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 86.9 mt -61.52 -36.36 72.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.581 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.45 ' H ' ' HG ' ' A' ' 48' ' ' SER . . . -69.67 -42.53 74.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.564 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.9 mp -56.21 -39.44 72.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.524 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.462 ' CD2' ' O ' ' A' ' 53' ' ' LEU . 1.7 tt -67.76 -35.75 79.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.539 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 14.3 tpt -70.36 -33.64 71.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.472 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.9 mt -63.5 -26.2 68.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.61 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.421 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 67.1 t0 -51.72 -33.19 33.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.558 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 84.8 p -78.75 -5.74 54.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.516 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.477 ' HB2' ' CD1' ' A' ' 9' ' ' ILE . . . -80.2 13.02 2.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.514 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.1 pttt -60.76 97.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.562 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.521 ' H ' HG23 ' A' ' 9' ' ' ILE . . . 103.65 1.68 46.51 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.61 ' NH2' ' OE2' ' A' ' 40' ' ' GLU . 25.1 mtp180 -103.7 159.66 15.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.776 0.322 . . . . 0.0 110.563 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -91.37 145.81 24.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.617 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 20.4 pt -132.69 161.0 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.588 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -121.78 100.04 6.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.591 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 8.6 t -81.0 128.78 38.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.538 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 75.4 tt0 -124.12 140.06 53.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.567 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.93 135.93 36.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.642 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 28.8 m -130.01 131.49 45.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.52 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.503 ' HA3' ' HB1' ' A' ' 32' ' ' ALA . . . 138.05 167.4 11.01 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -47.78 -43.72 28.39 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.792 2.328 . . . . 0.0 112.045 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.558 ' NE2' ' OD2' ' A' ' 31' ' ' ASP . 79.0 mt-30 -98.36 20.4 12.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.578 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.462 ' CG ' ' N ' ' A' ' 73' ' ' GLU . 22.7 pt-20 -52.78 -43.0 65.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.591 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.462 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 91.1 mt-10 -66.67 -45.29 79.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.501 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -63.7 -49.88 71.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.532 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.56 -48.12 78.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.481 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.404 HD23 HE21 ' A' ' 5' ' ' GLN . 4.9 tp -63.72 -43.84 95.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.522 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.62 -42.44 96.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.498 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.19 -44.29 95.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.482 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 45.4 t -66.65 -43.21 90.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.463 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 68.3 mt -63.22 -42.19 95.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.556 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.16 -36.27 83.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.481 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 55.5 mt -72.35 -38.66 68.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.514 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.573 179.969 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 78.6 t . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.853 0.359 . . . . 0.0 110.481 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.505 ' HD3' ' H ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -111.34 151.82 27.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.552 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.444 ' OE1' ' CD1' ' A' ' 80' ' ' ILE . 55.4 tt0 -158.96 133.16 7.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.558 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.475 ' H ' ' HG1' ' A' ' 6' ' ' THR . 0.1 OUTLIER -80.06 138.67 37.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.617 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 93.8 t -138.15 128.2 34.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.468 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -71.23 131.29 43.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.656 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.655 ' CG2' ' O ' ' A' ' 58' ' ' ALA . 4.8 mm . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.532 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo . . . . . 0 N--CA 1.491 1.382 0 CA-C-O 120.838 0.266 . . . . 0.0 112.111 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.35 -42.33 98.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.577 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 14.6 mmt -69.0 -41.53 77.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.482 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.8 tptt -63.56 -36.7 84.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.515 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 mt -49.01 -46.39 43.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.46 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.477 ' CE1' ' O ' ' A' ' 46' ' ' ALA . 6.1 m-85 -54.11 -40.02 66.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.492 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -72.61 -35.92 67.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.525 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.518 HD22 ' CE1' ' A' ' 30' ' ' PHE . 57.0 mt -63.02 -44.25 96.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.54 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.48 ' O ' ' O ' ' A' ' 30' ' ' PHE . 59.7 mtp -56.7 -35.68 68.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.557 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -73.19 -44.61 59.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.508 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.69 -33.35 63.5 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.518 ' CE1' HD22 ' A' ' 26' ' ' LEU . 5.9 m-30 -102.36 148.23 25.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.844 0.354 . . . . 0.0 110.593 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -93.91 93.84 8.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.521 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.655 ' HB1' ' HA3' ' A' ' 69' ' ' GLY . . . 170.2 153.53 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.491 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 68' ' ' THR . 85.8 tt0 -98.26 133.88 42.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.591 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 73.8 t -107.8 140.18 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.478 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.402 HD21 ' CD ' ' A' ' 37' ' ' ARG . 1.2 tt -139.76 132.86 29.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.647 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 48.8 mt -108.82 151.25 26.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.49 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.402 ' CD ' HD21 ' A' ' 35' ' ' LEU . 56.5 mtp180 -148.35 134.32 19.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.538 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -93.23 156.22 16.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.638 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.427 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 62.8 t0 -57.18 -29.9 64.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.613 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -65.61 -19.46 65.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.587 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 103.05 12.09 32.61 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 83.9 m -86.45 112.58 21.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 110.548 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -79.98 106.2 11.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.594 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.76 71.82 3.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.568 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.462 ' C ' ' H ' ' A' ' 47' ' ' ASN . 97.3 mt-10 -38.53 120.65 0.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.566 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.477 ' O ' ' CE1' ' A' ' 24' ' ' PHE . . . -64.38 0.29 1.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.604 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.462 ' H ' ' C ' ' A' ' 45' ' ' GLU . 54.1 p30 -112.52 27.9 9.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.611 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.5 m -144.67 125.41 14.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.615 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 35.4 m -65.46 -34.65 71.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.654 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 84.5 mt -61.54 -36.6 74.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.604 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.72 -40.69 84.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.562 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.9 mt -60.26 -39.04 85.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.584 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.477 ' CD2' ' O ' ' A' ' 53' ' ' LEU . 1.2 tt -68.14 -32.28 72.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.559 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 14.9 tpt -70.23 -36.08 74.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.571 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.6 mt -64.46 -23.1 67.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.583 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.411 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 66.4 t0 -51.07 -36.38 39.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.552 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.462 ' C ' ' H ' ' A' ' 59' ' ' LYS . 94.5 p -75.76 -8.15 56.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.481 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.655 ' O ' ' CG2' ' A' ' 9' ' ' ILE . . . -77.97 32.65 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.573 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.462 ' H ' ' C ' ' A' ' 57' ' ' SER . 65.4 tttp -75.41 96.18 3.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.532 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.404 ' H ' HG21 ' A' ' 9' ' ' ILE . . . 103.23 5.71 46.03 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.434 ' O ' ' HB ' ' A' ' 9' ' ' ILE . 87.4 mtt-85 -102.45 164.42 11.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.801 0.334 . . . . 0.0 110.581 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -99.34 143.67 29.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.565 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 15.8 pt -133.74 161.02 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.58 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -119.27 104.24 10.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.531 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 36.0 t -84.0 128.2 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.563 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -124.6 139.51 53.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.548 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.57 136.07 37.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.501 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.421 ' O ' ' N ' ' A' ' 33' ' ' GLU . 3.8 m -129.2 131.01 47.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.578 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.655 ' HA3' ' HB1' ' A' ' 32' ' ' ALA . . . 139.83 164.66 9.98 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -47.24 -45.39 22.13 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.801 2.334 . . . . 0.0 112.145 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -99.61 20.93 13.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.599 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.473 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 12.4 pt-20 -51.76 -38.16 54.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.601 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -64.32 -47.91 77.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.576 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 73.9 tt0 -53.47 -50.81 64.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.51 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.17 -48.24 74.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.584 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.96 -45.99 91.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.498 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.15 -42.32 99.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.542 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.16 -43.75 98.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.575 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 49.4 t -66.37 -43.7 91.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.601 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.444 ' CD1' ' OE1' ' A' ' 5' ' ' GLN . 56.4 mt -64.29 -41.24 91.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.488 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.66 -36.01 82.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.608 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.0 mt -72.43 -37.58 68.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.512 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.578 179.952 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.5 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.825 0.345 . . . . 0.0 110.454 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.424 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 46.0 pttt -125.3 176.01 7.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.59 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -166.95 135.11 2.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.466 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.28 125.85 32.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.614 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 94.2 t -131.3 131.76 63.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.523 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -76.58 131.0 38.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.608 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.6 ' CG2' ' O ' ' A' ' 58' ' ' ALA . 6.7 mm . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.588 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo . . . . . 0 N--CA 1.491 1.333 0 CA-C-O 120.836 0.265 . . . . 0.0 112.138 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.43 -45.56 91.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.546 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 48.4 mtt -63.92 -44.82 91.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.511 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -63.61 -35.75 81.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.508 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 mt -47.29 -46.82 25.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.504 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.563 ' CE1' ' O ' ' A' ' 46' ' ' ALA . 9.8 m-85 -50.04 -37.08 31.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.455 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -78.05 -34.58 50.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.552 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.514 HD22 ' CE1' ' A' ' 30' ' ' PHE . 82.7 mt -61.34 -49.53 76.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.522 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.614 ' HG3' ' N ' ' A' ' 28' ' ' GLN . 2.1 ppp? -56.62 -31.41 64.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.545 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.614 ' N ' ' HG3' ' A' ' 27' ' ' MET . 68.2 mt-30 -79.11 -43.48 23.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.55 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.74 -36.24 74.8 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.514 ' CE1' HD22 ' A' ' 26' ' ' LEU . 4.6 m-85 -100.85 162.21 13.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.35 . . . . 0.0 110.521 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.417 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 93.2 m-20 -100.75 92.92 5.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.543 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.796 ' HB3' ' HA3' ' A' ' 69' ' ' GLY . . . 167.28 157.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.549 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -102.83 133.14 48.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.617 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.5 m -108.13 142.47 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.56 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 tt -142.44 137.99 30.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.56 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.9 mt -109.42 150.88 27.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.574 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -150.1 137.99 20.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.625 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -91.68 154.76 18.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.571 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.469 ' OD1' ' N ' ' A' ' 40' ' ' GLU . 49.6 p-10 -54.86 -23.7 19.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.562 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.469 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 99.1 mt-10 -70.11 -16.19 63.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.571 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.92 9.96 47.52 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.6 m -85.16 115.32 22.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.711 0.291 . . . . 0.0 110.646 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -77.6 104.6 8.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.609 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -91.32 64.6 5.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.54 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -41.33 120.25 1.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.61 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.563 ' O ' ' CE1' ' A' ' 24' ' ' PHE . . . -62.75 -14.49 45.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.606 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.404 ' OD1' ' C ' ' A' ' 47' ' ' ASN . 45.2 p-10 -90.47 16.68 8.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.583 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 m -137.09 122.78 19.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.589 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.7 m -64.03 -34.66 70.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.566 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 84.0 mt -62.41 -36.23 73.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.5 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.67 -40.83 88.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.573 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.9 mt -60.11 -36.85 78.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.573 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.3 tp -66.42 -36.39 82.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.587 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 20.4 mmt -66.54 -36.14 81.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.611 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.76 -25.57 68.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.662 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -52.06 -36.92 52.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.553 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.502 ' C ' ' H ' ' A' ' 59' ' ' LYS . 92.6 p -76.87 -7.04 54.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.63 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.6 ' O ' ' CG2' ' A' ' 9' ' ' ILE . . . -75.99 29.99 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.58 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.502 ' H ' ' C ' ' A' ' 57' ' ' SER . 29.9 pttt -74.74 94.09 2.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.506 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 104.96 3.21 42.37 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.4 mtp85 -101.14 165.54 11.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.837 0.351 . . . . 0.0 110.564 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -100.51 142.79 31.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.599 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 21.5 pt -130.4 162.87 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.535 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -122.03 104.43 9.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.566 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 21.0 t -85.07 124.33 39.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.547 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -121.29 140.35 52.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.623 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.51 132.8 33.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.509 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.4 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 29.4 m -122.53 131.19 53.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.569 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.796 ' HA3' ' HB3' ' A' ' 32' ' ' ALA . . . 139.47 163.94 9.7 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -47.36 -46.94 18.72 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.844 2.363 . . . . 0.0 112.158 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.53 ' O ' ' N ' ' A' ' 74' ' ' GLU . 76.9 mt-30 -92.65 5.99 48.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.606 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.461 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 23.4 pt-20 -34.78 -37.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.553 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.491 ' HG3' ' H ' ' A' ' 74' ' ' GLU . 2.2 pt-20 -65.74 -47.27 75.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.606 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.53 ' N ' ' O ' ' A' ' 71' ' ' GLN . 35.2 tp10 -55.71 -52.46 63.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.582 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.76 -46.5 74.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.463 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 57.5 tp -65.47 -43.16 91.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.532 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.73 -42.39 98.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.584 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.47 -43.22 99.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.511 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 85.7 t -67.1 -41.75 87.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.513 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 47.3 mt -67.01 -38.89 82.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.55 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.35 -37.36 85.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.467 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.3 mt -68.34 -38.88 81.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.454 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.571 ' CD2' ' N ' ' A' ' 83' ' ' PHE . 6.7 m-30 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.521 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.9 ptp . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 74.6 p -84.09 159.0 21.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.568 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.7 t -133.21 119.21 34.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.586 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 20.7 pttp -125.52 174.15 8.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.557 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.9 131.69 4.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.559 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.45 128.18 33.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.541 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 89.1 t -129.38 124.28 59.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.562 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -80.67 126.63 31.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.662 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.5 mm -89.56 105.28 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.559 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 10' ' ' THR . 0.1 OUTLIER -83.25 57.22 3.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.583 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 24.5 m120 61.34 28.4 17.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.605 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.464 ' C ' ' H ' ' A' ' 14' ' ' GLY . 86.0 tttt -169.19 96.56 0.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.521 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.487 ' CD2' ' CE2' ' A' ' 83' ' ' PHE . 0.8 OUTLIER -60.38 -4.34 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.541 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.464 ' H ' ' C ' ' A' ' 12' ' ' LYS . . . 144.0 -157.87 27.23 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 98.3 mtp -70.15 90.19 0.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.806 0.336 . . . . 0.0 110.558 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 32.2 m80 57.53 -137.06 0.98 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.551 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -103.1 6.25 38.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.525 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.535 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 4.4 mmt85 -56.33 -49.68 92.0 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.535 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.535 ' CD ' ' N ' ' A' ' 18' ' ' ARG . 52.8 Cg_exo -47.4 -54.1 5.55 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.85 2.367 . . . . 0.0 112.086 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.529 ' HB1' HD13 ' A' ' 52' ' ' LEU . . . -59.86 -45.72 91.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.545 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 94.0 mtp -67.07 -41.62 86.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.515 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.3 mmtm -62.74 -37.76 87.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.502 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.0 mt -49.85 -46.21 51.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.537 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.518 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 13.2 m-85 -55.72 -38.83 70.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.55 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -73.87 -35.66 64.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.505 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.567 HD21 ' CE1' ' A' ' 30' ' ' PHE . 85.7 mt -67.16 -43.31 82.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.469 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 5.0 ttt -55.59 -28.78 57.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.546 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -84.51 -33.73 23.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.562 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.12 -36.15 32.33 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.567 ' CE1' HD21 ' A' ' 26' ' ' LEU . 7.5 m-85 -100.95 160.19 14.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.753 0.311 . . . . 0.0 110.558 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -103.26 93.05 4.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.542 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.742 ' HB2' ' HA3' ' A' ' 69' ' ' GLY . . . 170.97 158.09 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.603 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -102.45 126.16 49.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.541 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 91.5 t -103.68 135.07 43.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.556 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.1 tt -136.36 137.36 40.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.561 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 mp -108.64 150.13 27.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.537 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.481 HH11 ' CG ' ' A' ' 43' ' ' GLU . 17.7 ttm180 -147.39 135.59 21.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.574 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.434 ' OD1' ' CD2' ' A' ' 55' ' ' LEU . 88.1 m-20 -91.78 156.48 17.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.56 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -52.75 -28.22 21.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.59 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.632 ' OE2' ' NH2' ' A' ' 61' ' ' ARG . 44.3 mt-10 -67.73 -11.16 57.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.567 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.71 11.63 58.98 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 m -84.35 117.21 23.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.827 0.346 . . . . 0.0 110.552 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.481 ' CG ' HH11 ' A' ' 37' ' ' ARG . 96.3 mt-10 -77.93 103.24 7.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.581 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.27 65.34 7.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.58 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -40.94 120.53 1.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.553 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.518 ' O ' ' CZ ' ' A' ' 24' ' ' PHE . . . -62.84 -8.72 7.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.547 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.406 ' OD1' ' C ' ' A' ' 47' ' ' ASN . 47.5 p30 -100.44 26.7 6.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.556 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.535 ' HG ' ' H ' ' A' ' 51' ' ' ALA . 1.3 t -145.09 124.23 12.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.518 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.5 m -63.98 -35.07 72.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.618 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 85.1 mt -61.96 -36.46 74.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.614 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.535 ' H ' ' HG ' ' A' ' 48' ' ' SER . . . -66.11 -42.43 89.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.545 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.529 HD13 ' HB1' ' A' ' 20' ' ' ALA . 43.4 tp -58.41 -38.48 77.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.547 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 7.2 mt -65.33 -36.76 85.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.546 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 22.8 mmt -67.77 -37.76 82.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.545 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.434 ' CD2' ' OD1' ' A' ' 38' ' ' ASN . 96.5 mt -62.52 -34.36 76.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.588 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -54.07 -34.2 59.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.567 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 84.7 p -77.49 -6.54 53.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.616 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.87 29.36 0.46 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.549 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -69.37 97.27 0.95 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.616 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.88 4.98 39.0 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.632 ' NH2' ' OE2' ' A' ' 40' ' ' GLU . 29.8 mtp180 -106.23 164.92 11.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.796 0.331 . . . . 0.0 110.602 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -98.7 143.67 28.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.62 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.5 pt -130.89 163.87 35.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.569 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -124.86 101.72 7.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.52 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 21.3 t -81.63 126.63 39.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.546 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -119.38 138.5 53.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.568 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.07 131.23 32.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.571 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 54.8 m -123.9 129.78 51.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.501 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.742 ' HA3' ' HB2' ' A' ' 32' ' ' ALA . . . 141.67 162.18 9.06 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -47.91 -45.21 25.34 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.817 2.344 . . . . 0.0 112.08 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 74' ' ' GLU . 77.1 mt-30 -94.14 6.84 47.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.527 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.475 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 21.1 pt-20 -38.25 -35.8 0.19 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.53 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -64.59 -49.17 72.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.522 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 71' ' ' GLN . 75.5 tt0 -57.41 -52.36 65.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.52 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.43 -49.77 69.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.496 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 56.6 tp -64.27 -44.66 91.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.463 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.37 -42.44 99.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.445 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.19 -44.4 97.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.462 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 51.3 t -66.02 -43.34 92.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.452 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 51.3 mt -64.07 -41.56 92.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.443 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.81 -36.71 84.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.486 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 65.0 mt -72.61 -39.75 67.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.448 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.521 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 6.0 m-30 -67.84 -31.37 71.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.553 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.522 ' O ' ' OG ' ' A' ' 85' ' ' SER . 36.8 t-20 -83.04 -3.59 57.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.574 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.522 ' OG ' ' O ' ' A' ' 84' ' ' ASN . 8.1 p . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.568 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.495 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 67.1 ttp . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.6 p -77.39 156.68 31.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.608 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.47 HG12 ' O ' ' A' ' 3' ' ' VAL . 8.9 p -139.73 121.88 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.467 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.0 pttt -124.59 172.0 9.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.564 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -164.05 130.57 3.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.504 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.44 128.19 33.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.624 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.8 t -131.47 126.33 58.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.517 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.2 mp0 -69.71 136.64 51.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.571 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.624 ' CG2' ' O ' ' A' ' 58' ' ' ALA . 3.4 mm -88.1 118.91 34.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.585 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.628 ' O ' ' HB3' ' A' ' 11' ' ' ASN . 11.4 t -137.96 115.38 11.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.464 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.848 ' O ' ' OD1' ' A' ' 11' ' ' ASN . 57.4 t-20 77.27 15.44 1.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.488 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.758 ' HB2' ' O ' ' A' ' 11' ' ' ASN . 4.9 tttp 99.77 -179.36 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.541 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.6 mt -54.98 -1.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.528 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.587 ' H ' ' C ' ' A' ' 12' ' ' LYS . . . 160.36 -170.93 36.47 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 76.7 mtm -57.37 -39.14 75.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.835 0.35 . . . . 0.0 110.538 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.923 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 74.6 m80 -142.36 -180.0 6.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.502 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.18 -1.39 23.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.564 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.531 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 17.8 mtt85 -58.59 -48.98 95.9 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.551 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.923 ' HD2' ' O ' ' A' ' 16' ' ' HIS . 52.1 Cg_exo -47.79 -57.52 2.28 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.826 2.351 . . . . 0.0 112.118 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.469 ' HB3' HD23 ' A' ' 52' ' ' LEU . . . -60.29 -43.97 95.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.617 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 57.8 mtt -67.67 -41.13 84.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.605 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -61.16 -37.89 84.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.516 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 mt -48.92 -45.79 42.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.562 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -57.21 -40.27 77.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.506 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -72.87 -34.91 67.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.543 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.506 ' HG ' ' CE1' ' A' ' 30' ' ' PHE . 0.9 OUTLIER -69.05 -41.46 77.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.503 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.481 ' SD ' ' O ' ' A' ' 32' ' ' ALA . 14.3 mmm -53.82 -33.29 55.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.504 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -79.47 -39.66 31.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.539 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.95 -41.58 87.49 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.588 ' CD2' ' N ' ' A' ' 30' ' ' PHE . 5.3 m-30 -95.62 166.15 11.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.792 0.33 . . . . 0.0 110.548 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -108.13 92.63 4.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.547 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.631 ' HB3' ' HA3' ' A' ' 69' ' ' GLY . . . 172.53 153.34 0.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.619 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 68' ' ' THR . 84.0 tt0 -98.33 135.3 40.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.555 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 83.6 t -107.73 138.28 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.521 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.451 HD23 ' NE ' ' A' ' 37' ' ' ARG . 0.9 OUTLIER -137.18 129.16 29.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.589 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.4 mt -106.29 152.83 23.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.591 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.451 ' NE ' HD23 ' A' ' 35' ' ' LEU . 92.4 mtt180 -146.91 133.84 20.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.605 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -89.27 152.88 21.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.48 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.426 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 32.8 p-10 -52.51 -30.58 31.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.625 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -70.9 -4.78 26.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.528 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.22 18.92 58.31 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.5 m -85.41 110.53 19.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 110.545 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -71.72 104.58 3.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.552 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -100.4 77.2 1.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.512 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.477 ' C ' ' H ' ' A' ' 47' ' ' ASN . 96.4 mt-10 -40.25 121.44 1.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.578 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.58 3.78 0.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.558 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.477 ' H ' ' C ' ' A' ' 45' ' ' GLU . 76.9 m-20 -119.81 28.74 7.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.518 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.8 t -143.87 126.96 16.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.577 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.2 m -65.46 -32.65 59.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.547 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 83.6 mt -62.67 -37.5 79.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.562 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.71 -42.19 91.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.512 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.469 HD23 ' HB3' ' A' ' 20' ' ' ALA . 4.3 tp -58.05 -38.44 76.3 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.563 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.6 mt -59.24 -39.7 83.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.568 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 56.7 mtt -67.75 -40.32 84.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.499 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 58' ' ' ALA . 91.2 mt -61.73 -31.35 71.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.547 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -49.69 -39.26 36.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.618 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.53 ' C ' ' H ' ' A' ' 59' ' ' LYS . 90.8 p -74.21 -9.24 58.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.633 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.624 ' O ' ' CG2' ' A' ' 9' ' ' ILE . . . -74.52 29.29 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.527 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.53 ' H ' ' C ' ' A' ' 57' ' ' SER . 88.8 tttt -70.34 96.33 1.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.469 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.578 ' H ' HG22 ' A' ' 9' ' ' ILE . . . 101.0 9.19 46.09 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.451 ' O ' ' HB ' ' A' ' 9' ' ' ILE . 18.1 mmt180 -104.38 171.89 7.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.784 0.326 . . . . 0.0 110.553 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -106.51 141.66 37.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.638 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 21.9 pt -131.54 164.28 34.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.54 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -124.02 103.05 8.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.563 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.4 t -84.04 131.96 32.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.592 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -127.05 140.13 52.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.593 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -135.28 135.34 40.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.568 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 33' ' ' GLU . 31.3 m -129.1 131.25 47.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.575 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.631 ' HA3' ' HB3' ' A' ' 32' ' ' ALA . . . 140.61 165.89 10.48 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -47.61 -42.95 29.02 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.876 2.384 . . . . 0.0 112.104 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -102.24 23.85 11.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.595 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.495 ' OE1' ' O ' ' A' ' 1' ' ' MET . 18.2 pt-20 -52.68 -39.15 61.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.611 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -65.07 -48.2 74.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.613 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -56.48 -48.24 77.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.6 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.24 -46.51 82.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.575 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 44.7 tp -64.22 -44.77 90.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.526 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.93 -42.39 98.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.592 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.76 -43.18 99.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.616 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 42.0 t -67.59 -44.76 86.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.561 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 45.0 mt -63.35 -41.35 92.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.505 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.88 -34.73 78.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.485 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -72.98 -39.33 66.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.506 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -67.76 -32.64 73.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.552 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -86.4 -6.53 58.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.559 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.1 t . . . . . 0 C--O 1.219 -0.539 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.648 179.966 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.0 mtm . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.0 p -113.41 138.52 49.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.661 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.75 ' O ' HD13 ' A' ' 76' ' ' LEU . 88.7 t -136.35 121.92 28.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.506 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.515 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 8.6 pttm -120.87 162.36 19.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.633 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.515 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 60.2 mt-30 -157.1 127.72 6.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.493 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.77 127.57 32.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.543 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 69.7 t -131.68 133.22 61.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.55 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -74.73 138.18 42.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.577 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.588 ' CG2' ' O ' ' A' ' 58' ' ' ALA . 15.2 mm -86.59 120.18 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.567 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.704 ' O ' ' HB3' ' A' ' 11' ' ' ASN . 35.7 m -137.86 97.39 3.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.505 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.704 ' HB3' ' O ' ' A' ' 10' ' ' THR . 47.1 t30 85.36 26.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.536 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.687 ' HB2' ' O ' ' A' ' 11' ' ' ASN . 56.6 mttm 86.94 -161.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.549 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.521 ' O ' ' HG2' ' A' ' 19' ' ' PRO . 63.3 mt -80.7 16.21 1.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.531 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 133.07 -123.4 3.44 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.584 ' O ' ' N ' ' A' ' 17' ' ' ALA . 67.4 mtt -93.71 118.41 31.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.824 0.345 . . . . 0.0 110.591 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.484 ' ND1' ' N ' ' A' ' 17' ' ' ALA . 19.7 t-80 53.19 -80.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.506 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.584 ' N ' ' O ' ' A' ' 15' ' ' MET . . . -170.94 3.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.51 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.578 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 10.5 mtm180 -41.47 -46.57 8.44 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.527 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.579 ' HD2' ' C ' ' A' ' 17' ' ' ALA . 51.8 Cg_exo -47.92 -46.36 22.01 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.78 2.32 . . . . 0.0 112.052 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.552 ' CB ' HD22 ' A' ' 52' ' ' LEU . . . -61.09 -49.1 78.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.53 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 59.2 mtt -64.09 -42.48 96.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.477 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -63.43 -37.21 86.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.494 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.6 mt -54.3 -44.34 71.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.42 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -55.72 -39.98 71.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.458 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -72.09 -35.76 69.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.455 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.444 HD22 ' CE1' ' A' ' 30' ' ' PHE . 65.3 mt -63.54 -43.35 97.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.549 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.416 ' O ' ' O ' ' A' ' 30' ' ' PHE . 82.6 mtp -57.39 -35.72 70.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.529 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -74.1 -42.14 60.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.501 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.53 -35.42 59.48 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.511 ' CD2' ' N ' ' A' ' 30' ' ' PHE . 6.8 m-30 -99.7 154.54 18.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.775 0.321 . . . . 0.0 110.537 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.837 ' O ' ' HD2' ' A' ' 70' ' ' PRO . 82.3 m-20 -100.24 92.59 5.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.569 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.538 ' CB ' ' O ' ' A' ' 68' ' ' THR . . . 171.75 151.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.565 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 67.6 tt0 -96.29 133.59 40.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.595 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 61.4 t -108.54 144.64 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.59 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.405 ' CD2' ' NH1' ' A' ' 37' ' ' ARG . 2.1 tt -145.93 130.71 18.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.63 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 mp -115.15 154.26 29.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.5 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.405 ' NH1' ' CD2' ' A' ' 35' ' ' LEU . 11.3 ptp85 -157.84 145.72 18.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.566 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -92.15 157.75 16.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.55 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' A' ' 40' ' ' GLU . 52.1 p-10 -60.25 -23.9 64.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.593 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.474 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 98.2 mt-10 -67.19 -20.15 65.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.585 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.16 7.08 29.15 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.8 m -84.03 112.42 20.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.743 0.306 . . . . 0.0 110.5 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -84.03 107.57 16.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.537 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 45' ' ' GLU . . . -95.15 72.96 3.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.59 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.516 ' C ' ' H ' ' A' ' 47' ' ' ASN . 94.6 mt-10 -37.14 121.03 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.585 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.35 -1.12 0.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.519 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.516 ' H ' ' C ' ' A' ' 45' ' ' GLU . 50.5 t30 -121.76 46.18 2.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.583 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.5 t -156.41 126.39 6.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.564 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 35.9 m -66.35 -36.85 78.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.625 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 83.8 mt -61.39 -34.94 63.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.537 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.406 ' HB2' ' CA ' ' A' ' 44' ' ' ALA . . . -66.72 -39.66 88.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.581 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.552 HD22 ' CB ' ' A' ' 20' ' ' ALA . 49.4 tp -59.48 -40.37 86.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.549 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.6 mt -64.29 -37.44 87.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.542 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 23.0 mmt -66.36 -37.9 86.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.543 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.6 -23.84 67.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.491 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -55.31 -38.11 68.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.584 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 75.6 m -77.99 0.62 23.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.598 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.588 ' O ' ' CG2' ' A' ' 9' ' ' ILE . . . -88.08 31.03 0.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.564 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.5 pttm -75.22 95.77 3.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.539 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 104.96 6.1 40.34 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 59.7 mtp85 -104.22 161.04 14.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.75 0.31 . . . . 0.0 110.572 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -94.96 144.04 25.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.564 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 46.7 pt -132.08 165.19 32.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.524 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -125.24 102.56 7.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.568 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 6.3 t -83.2 132.15 32.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.549 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -127.76 139.85 52.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.578 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.94 140.58 38.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.589 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.538 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 51.4 m -129.66 140.13 51.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.586 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.532 ' HA3' ' HB2' ' A' ' 32' ' ' ALA . . . 132.73 -178.95 17.72 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.837 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 48.2 Cg_endo -72.62 -25.89 17.02 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.836 2.357 . . . . 0.0 112.088 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -112.66 15.42 19.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.506 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -51.8 -42.65 62.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.606 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -58.3 -47.46 83.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.554 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -56.48 -51.32 68.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.53 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.75 -47.66 59.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.572 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.75 HD13 ' O ' ' A' ' 3' ' ' VAL . 92.0 mt -65.56 -41.11 93.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.591 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.84 -43.31 94.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.572 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.52 -43.29 97.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.566 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 65.7 t -68.78 -44.98 81.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.534 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 47.1 mt -64.96 -40.52 89.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.453 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.85 -34.9 78.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.537 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.7 mt -72.85 -37.64 67.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.5 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.536 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 7.3 m-30 -70.36 -34.13 72.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.52 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -71.71 -13.41 61.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.585 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.8 t . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.534 -179.957 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.9 tpt . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 74.4 p -85.34 157.18 20.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.611 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 3' ' ' VAL . 24.8 m -126.15 121.04 58.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.517 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.2 mttp -120.37 143.29 48.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.708 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -145.3 135.12 23.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.533 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.03 126.47 39.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.565 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.4 p -130.07 136.33 59.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.58 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -75.89 129.91 37.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.542 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.2 mm -82.73 117.1 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.57 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.663 ' O ' ' HB3' ' A' ' 11' ' ' ASN . 43.1 m -131.46 102.87 6.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.507 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.663 ' HB3' ' O ' ' A' ' 10' ' ' THR . 46.4 t30 79.78 37.47 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.51 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.619 ' HB2' ' O ' ' A' ' 11' ' ' ASN . 88.3 mttt 80.8 -174.15 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.525 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.515 ' CD1' ' N ' ' A' ' 13' ' ' LEU . 7.6 mp -71.4 16.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.545 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.53 ' H ' ' C ' ' A' ' 12' ' ' LYS . . . 147.9 -173.53 27.92 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 63.1 mtt -58.16 -36.06 72.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.818 0.342 . . . . 0.0 110.564 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.837 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 75.2 m80 -143.08 -177.27 5.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.511 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.59 3.67 7.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.558 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.512 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 12.0 mmm-85 -55.29 -50.17 88.19 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.613 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.837 ' HD2' ' O ' ' A' ' 16' ' ' HIS . 53.7 Cg_exo -47.09 -58.51 1.69 Allowed 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.837 2.358 . . . . 0.0 112.096 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.19 -40.81 95.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.574 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 56.0 mtt -68.57 -42.53 78.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.562 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -59.21 -40.24 85.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.549 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.7 mt -47.58 -43.14 25.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.501 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.529 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 10.1 m-85 -57.51 -42.7 83.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.503 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -72.06 -35.6 69.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.441 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.29 -40.76 77.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.514 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.483 ' SD ' ' O ' ' A' ' 32' ' ' ALA . 13.0 mmm -53.91 -37.03 63.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.501 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -72.75 -39.07 67.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.522 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.55 -35.31 32.99 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.507 ' CD2' ' N ' ' A' ' 30' ' ' PHE . 9.0 m-30 -95.72 136.23 36.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.725 0.297 . . . . 0.0 110.574 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.864 ' O ' ' HD2' ' A' ' 70' ' ' PRO . 83.3 m-20 -88.87 94.33 9.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.636 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.553 ' HB1' ' HA3' ' A' ' 69' ' ' GLY . . . 170.75 152.57 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.6 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 67' ' ' ALA . 40.3 tp10 -95.39 129.83 42.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.582 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.8 m -106.25 144.83 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.592 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.2 tt -147.07 133.6 19.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.551 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.6 mt -106.95 152.25 24.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.574 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 43.7 mtp85 -146.79 132.02 18.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.569 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -86.16 157.55 19.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.516 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -50.22 -37.09 33.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.593 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -68.07 0.47 3.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.565 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.57 22.33 62.42 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.1 m -87.6 111.67 21.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.883 0.373 . . . . 0.0 110.55 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -71.88 104.89 3.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.609 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.41 68.79 3.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.468 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -44.95 120.48 2.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.539 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.529 ' O ' ' CZ ' ' A' ' 24' ' ' PHE . . . -62.47 -38.17 88.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.562 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.44 ' O ' ' CG ' ' A' ' 47' ' ' ASN . 14.4 t-20 -64.34 1.12 0.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.543 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.493 ' H ' ' C ' ' A' ' 46' ' ' ALA . 11.2 t -122.39 120.76 34.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.561 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.9 m -65.06 -30.94 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.536 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 79.0 mt -61.6 -36.05 70.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.644 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.2 -40.81 82.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.517 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 80.1 mt -58.26 -39.88 80.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.536 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 68.5 tp -66.65 -35.85 81.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.587 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 15.0 tpt -66.66 -35.64 80.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.561 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.87 -24.0 66.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.515 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -50.8 -37.07 40.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.509 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.447 ' C ' ' H ' ' A' ' 59' ' ' LYS . 96.8 p -77.84 -7.72 57.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.548 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.88 29.68 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.554 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.447 ' H ' ' C ' ' A' ' 57' ' ' SER . 30.2 ttpt -74.21 97.83 3.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.583 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 104.15 8.81 38.06 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 54.3 mtt85 -106.21 170.76 7.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.764 0.316 . . . . 0.0 110.58 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -105.2 139.46 39.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.557 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 31.0 pt -127.94 163.38 31.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.554 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -121.35 107.13 12.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.625 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.8 t -87.0 123.46 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.556 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -121.07 137.5 54.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.59 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.428 ' O ' HG21 ' A' ' 3' ' ' VAL . . . -139.45 138.19 36.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.576 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.469 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 23.1 m -126.46 138.41 53.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.569 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.553 ' HA3' ' HB1' ' A' ' 32' ' ' ALA . . . 136.66 -177.9 19.3 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.864 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 48.0 Cg_endo -72.36 -29.48 13.82 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.88 2.386 . . . . 0.0 112.097 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.423 ' OE1' ' HA ' ' A' ' 30' ' ' PHE . 81.8 mt-30 -107.84 10.4 28.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.491 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.431 ' OE2' ' O ' ' A' ' 69' ' ' GLY . 13.1 pt-20 -47.44 -44.4 24.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.54 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.452 ' HG3' ' H ' ' A' ' 74' ' ' GLU . 3.1 pt-20 -58.79 -44.0 90.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.538 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.452 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 87.0 mt-10 -58.91 -47.66 84.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.573 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.56 -45.99 73.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.546 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.4 mp -65.16 -43.56 91.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.527 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.77 -44.08 97.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.516 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.85 -43.41 96.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.503 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 59.3 t -69.32 -44.21 80.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.47 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.401 HG23 HD13 ' A' ' 80' ' ' ILE . 51.8 mt -62.53 -42.22 95.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.45 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.68 -34.99 78.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.471 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -73.11 -40.53 64.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.513 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 13' ' ' LEU . 3.0 m-85 -68.66 -32.61 72.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.542 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -86.52 -1.7 57.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.547 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 53.2 m . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.526 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.9 mtt . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 62.87 129.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.509 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.765 ' O ' HD11 ' A' ' 76' ' ' LEU . 99.3 t -137.38 116.31 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.602 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.654 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 1.4 pttm -117.61 169.44 9.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.61 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.654 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 32.3 mt-30 -163.22 130.09 3.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.509 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.71 125.3 29.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.613 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 94.0 t -128.77 125.8 63.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.557 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -72.55 133.88 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.602 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.57 HG22 ' H ' ' A' ' 60' ' ' GLY . 4.0 mm -84.06 120.05 34.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.583 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.67 ' O ' ' HB3' ' A' ' 11' ' ' ASN . 54.5 m -137.0 106.14 6.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.568 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.824 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 55.5 t30 85.45 12.14 0.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.572 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.824 ' HB2' ' O ' ' A' ' 11' ' ' ASN . 10.9 tttp 101.49 179.29 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.573 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 69.7 mt -53.0 -4.7 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.465 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.596 ' H ' ' C ' ' A' ' 12' ' ' LYS . . . 158.19 -144.46 10.47 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 94.8 mtp -56.49 -73.82 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.832 0.349 . . . . 0.0 110.549 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 76.8 m80 -130.04 41.25 3.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.539 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.558 ' C ' ' HD2' ' A' ' 19' ' ' PRO . . . 72.48 -4.28 2.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.515 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.574 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 2.8 mtt85 -41.57 -46.84 8.99 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.562 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 18' ' ' ARG . 53.0 Cg_exo -47.54 -42.78 28.76 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.736 2.291 . . . . 0.0 112.123 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.75 -48.68 79.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.462 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 17.0 mmt -64.49 -40.56 95.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.536 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -65.96 -35.73 81.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.513 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 mt -49.79 -45.94 50.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.552 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.51 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 10.7 m-85 -54.35 -38.41 66.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.49 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -74.36 -34.9 63.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.569 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.423 HD23 ' CE1' ' A' ' 30' ' ' PHE . 69.3 mt -64.39 -44.0 92.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.506 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 74.3 mtp -56.51 -33.5 66.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.531 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -78.36 -43.09 28.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.553 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.31 -39.69 81.39 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.574 ' CD2' ' N ' ' A' ' 30' ' ' PHE . 5.0 m-30 -97.7 165.87 11.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.816 0.341 . . . . 0.0 110.602 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -108.57 94.79 5.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.545 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.587 ' HB1' ' HA3' ' A' ' 69' ' ' GLY . . . 169.96 153.26 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.559 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 67' ' ' ALA . 86.2 tt0 -97.57 130.99 44.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.643 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 83.7 t -107.75 137.8 37.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.48 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.539 HD21 ' HE ' ' A' ' 37' ' ' ARG . 1.4 tt -138.77 132.6 30.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.65 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 mp -106.99 154.05 21.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.561 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.539 ' HE ' HD21 ' A' ' 35' ' ' LEU . 99.7 mtt180 -143.18 135.11 26.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.62 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -90.91 149.38 21.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.572 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.85 -30.82 10.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.502 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -70.72 -8.1 49.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.537 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.79 11.09 59.46 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.9 m -81.27 113.12 19.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.822 0.344 . . . . 0.0 110.516 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -73.35 102.76 3.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.574 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -91.3 62.88 4.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.587 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.541 ' C ' ' H ' ' A' ' 47' ' ' ASN . 37.6 mt-10 -40.24 120.21 1.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.604 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.51 ' O ' ' CZ ' ' A' ' 24' ' ' PHE . . . -58.98 -1.81 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.547 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.541 ' H ' ' C ' ' A' ' 45' ' ' GLU . 36.3 p30 -111.19 41.47 1.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.577 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.26 126.61 5.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.566 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.4 m -65.76 -35.11 74.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.625 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.424 ' O ' ' SD ' ' A' ' 54' ' ' MET . 84.2 mt -64.08 -34.8 71.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.608 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.54 -45.32 83.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.539 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.4 mp -58.89 -36.52 74.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.555 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.3 mt -68.45 -35.92 78.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.571 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.424 ' SD ' ' O ' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -66.17 -37.75 86.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.517 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.8 mt -64.77 -23.36 67.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.555 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.401 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 65.3 t0 -54.36 -36.69 64.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.611 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.5 m -78.67 1.71 21.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.51 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.539 ' O ' ' CG2' ' A' ' 9' ' ' ILE . . . -89.32 30.19 1.01 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.662 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -72.33 96.68 1.9 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.6 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.57 ' H ' HG22 ' A' ' 9' ' ' ILE . . . 103.33 8.33 41.27 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.419 ' O ' ' HB ' ' A' ' 9' ' ' ILE . 27.2 mmm-85 -104.94 177.09 4.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.817 0.342 . . . . 0.0 110.584 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 26.7 pt20 -110.89 146.28 36.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.553 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.4 pt -134.12 160.68 41.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.552 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -120.21 100.2 7.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.625 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 38.3 t -81.79 128.3 38.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.589 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -121.24 136.74 54.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.535 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 33' ' ' GLU . . . -134.89 133.08 39.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.556 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 32.2 m -128.64 130.12 46.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.556 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.587 ' HA3' ' HB1' ' A' ' 32' ' ' ALA . . . 141.71 167.18 11.14 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -47.64 -43.35 28.42 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.828 2.352 . . . . 0.0 112.153 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -102.37 24.71 9.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.58 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.435 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 18.9 pt-20 -53.03 -40.77 64.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.549 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.401 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 87.0 mt-10 -65.64 -46.48 79.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.604 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -56.63 -49.41 75.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.541 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.99 -46.69 75.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.582 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.765 HD11 ' O ' ' A' ' 3' ' ' VAL . 1.7 mt -65.35 -43.27 91.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.571 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.08 -43.12 95.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.533 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.78 -43.57 98.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.579 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 58.2 t -67.98 -44.09 85.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.501 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.488 ' CD1' ' NE2' ' A' ' 5' ' ' GLN . 55.5 mt -64.48 -42.01 93.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.529 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.6 -34.95 78.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.491 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.3 mt -74.06 -38.62 63.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.532 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -68.44 -32.87 73.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.531 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -80.32 -10.1 59.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.531 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.58 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.6 mtt . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.408 ' CG2' ' OG1' ' A' ' 68' ' ' THR . 81.7 p -138.66 158.65 43.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.574 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 74.4 t -129.63 117.07 40.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.492 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 51.2 pttt -126.02 175.32 7.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.675 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.487 ' NE2' ' CD1' ' A' ' 80' ' ' ILE . 6.1 tt0 -169.13 135.27 1.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.437 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.03 130.27 35.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.611 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 74.4 t -134.36 129.01 52.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.574 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -70.51 128.03 34.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.556 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.472 HG23 ' H ' ' A' ' 60' ' ' GLY . 5.8 mm -79.9 117.09 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.639 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.69 ' O ' ' HB3' ' A' ' 11' ' ' ASN . 52.4 m -130.08 106.08 8.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.475 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.711 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 55.1 t30 85.76 26.88 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.483 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.711 ' HB2' ' O ' ' A' ' 11' ' ' ASN . 55.0 mttp 85.13 -154.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.519 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.585 ' O ' ' CE1' ' A' ' 83' ' ' PHE . 2.5 mm? -51.08 -14.59 0.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.646 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.48 ' O ' ' ND2' ' A' ' 11' ' ' ASN . . . 146.21 -106.52 0.38 Allowed Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.496 ' SD ' ' NH1' ' A' ' 18' ' ' ARG . 56.0 ttm -64.43 -35.55 81.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.831 0.348 . . . . 0.0 110.575 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.48 ' ND1' ' N ' ' A' ' 17' ' ' ALA . 16.0 t-80 176.21 -77.53 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.548 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.48 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -147.27 -10.01 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.52 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.547 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 9.5 mtm180 -58.13 -48.46 97.02 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.525 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 18' ' ' ARG . 53.5 Cg_exo -47.41 -54.63 4.83 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.857 2.371 . . . . 0.0 112.023 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.01 -47.07 88.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.476 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 57.2 mtt -63.78 -40.26 96.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.537 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.444 ' O ' HD22 ' A' ' 26' ' ' LEU . 89.7 mttt -63.44 -37.38 87.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.592 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 mt -48.39 -42.68 32.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.533 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.459 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 19.9 m-85 -58.49 -41.9 86.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.466 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -69.65 -37.2 76.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.53 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.495 HD13 ' CE1' ' A' ' 30' ' ' PHE . 4.1 mm? -66.59 -39.58 88.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.503 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.466 ' SD ' ' O ' ' A' ' 32' ' ' ALA . 0.4 OUTLIER -51.46 -33.51 31.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.539 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -80.17 -41.29 25.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.566 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.72 -39.01 90.3 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.495 ' CE1' HD13 ' A' ' 26' ' ' LEU . 9.5 m-30 -100.88 154.92 18.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.767 0.318 . . . . 0.0 110.578 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -101.26 92.48 4.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.546 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.608 ' HB1' ' HA3' ' A' ' 69' ' ' GLY . . . 172.99 155.16 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.589 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -99.76 133.9 43.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.571 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.9 m -111.67 145.09 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.578 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.7 tt -144.41 138.19 27.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.571 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.1 mt -109.15 146.89 33.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.579 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -145.99 134.2 21.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.568 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -86.33 153.61 21.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.541 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -53.3 -31.55 44.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.58 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -67.74 -5.16 14.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.524 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.13 20.66 48.65 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.2 m -88.51 112.62 23.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.802 0.334 . . . . 0.0 110.55 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.476 ' OE1' ' N ' ' A' ' 43' ' ' GLU . 58.4 mp0 -77.32 105.26 8.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.556 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.98 76.58 1.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.552 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -42.24 121.41 1.88 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.563 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.459 ' O ' ' CZ ' ' A' ' 24' ' ' PHE . . . -69.79 0.72 5.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.503 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.682 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 0.1 OUTLIER -106.9 14.44 26.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.583 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 55.0 m -135.07 129.78 34.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.554 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.4 m -64.6 -31.89 55.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.611 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 90.0 mt -61.56 -38.08 79.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.536 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.74 -39.65 84.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.575 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 87.7 mt -59.08 -39.96 83.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.616 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.0 mt -70.03 -34.11 72.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.526 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.3 ttm -66.21 -40.48 90.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.538 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.2 mt -64.51 -23.83 67.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.58 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -55.27 -38.53 68.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.605 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 61.4 m -72.69 -8.1 53.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.575 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -84.47 10.53 10.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.578 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.431 ' CG ' ' O ' ' A' ' 59' ' ' LYS . 12.0 ptmt -53.37 101.51 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.606 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.472 ' H ' HG23 ' A' ' 9' ' ' ILE . . . 104.63 1.3 43.22 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -101.6 173.26 6.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.813 0.34 . . . . 0.0 110.63 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -100.73 144.22 29.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.589 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 33.3 pt -133.67 161.76 40.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.657 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -122.39 104.75 9.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.592 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 39.7 t -84.28 126.85 40.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.568 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -120.37 138.89 53.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.559 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.81 131.45 31.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.531 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.408 ' OG1' ' CG2' ' A' ' 2' ' ' THR . 47.6 m -126.26 131.29 51.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.574 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.608 ' HA3' ' HB1' ' A' ' 32' ' ' ALA . . . 140.24 165.0 10.12 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -47.85 -41.17 32.28 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.809 2.34 . . . . 0.0 112.117 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -101.49 19.62 17.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.598 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.415 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 23.2 pt-20 -48.89 -39.87 27.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.54 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.411 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 91.4 mt-10 -64.71 -48.5 74.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.541 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.4 tp10 -54.11 -50.41 66.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.597 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.74 -47.52 73.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.523 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.411 HD23 HE21 ' A' ' 5' ' ' GLN . 6.7 tp -62.05 -43.85 97.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.557 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.27 -42.61 98.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.486 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.09 -44.09 97.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.518 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 61.3 t -67.37 -43.94 87.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.466 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.487 ' CD1' ' NE2' ' A' ' 5' ' ' GLN . 54.0 mt -64.9 -39.37 85.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.489 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.28 -36.99 85.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.52 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 55.3 mt -69.82 -40.85 75.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.537 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.585 ' CE1' ' O ' ' A' ' 13' ' ' LEU . 6.3 m-30 -69.96 -30.54 67.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.48 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -85.07 -2.09 57.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.548 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.7 t . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.561 -179.973 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.5 mtp . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.402 ' CG2' ' OG1' ' A' ' 68' ' ' THR . 69.6 p -134.31 157.64 45.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.567 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.3 t -127.7 117.93 47.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.475 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt -115.93 151.08 36.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.586 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.45 133.13 13.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.519 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.64 127.72 35.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.614 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 86.3 t -129.71 133.11 65.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.492 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -83.62 125.08 31.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.655 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.508 HD12 HG23 ' A' ' 9' ' ' ILE . 20.9 mt -78.64 117.86 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.491 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.737 ' O ' ' HB2' ' A' ' 11' ' ' ASN . 40.1 m -131.7 100.26 5.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.627 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.804 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 36.2 m120 84.05 32.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.713 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.804 ' HB2' ' O ' ' A' ' 11' ' ' ASN . 63.0 mttm 88.66 -178.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.659 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.501 ' O ' ' HG2' ' A' ' 19' ' ' PRO . 84.5 mt -68.66 22.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.602 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.623 ' H ' ' C ' ' A' ' 12' ' ' LYS . . . 115.25 -103.1 1.19 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 59.0 ttm -103.99 111.39 23.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.75 0.309 . . . . 0.0 110.581 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 59.2 m170 47.07 -112.5 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.602 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -134.3 13.66 3.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.573 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.55 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 1.1 mpt_? -53.16 -48.6 91.56 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.538 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 18' ' ' ARG . 51.0 Cg_exo -49.19 -55.03 4.54 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.862 2.375 . . . . 0.0 112.061 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.641 ' CB ' HD21 ' A' ' 52' ' ' LEU . . . -61.3 -44.01 97.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.514 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 64.4 mtt -68.89 -43.01 76.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.525 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -60.31 -37.13 79.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.579 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.3 mt -50.55 -45.67 57.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.544 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.461 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 8.2 m-85 -54.85 -39.08 68.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.566 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -76.14 -35.97 58.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.539 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.562 ' O ' ' N ' ' A' ' 30' ' ' PHE . 89.5 mt -64.73 -43.05 94.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.547 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 87.5 mtp -59.61 -37.33 78.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.63 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 29.8 tp60 -57.33 -41.7 80.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.544 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -97.07 -19.3 26.68 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.562 ' N ' ' O ' ' A' ' 26' ' ' LEU . 7.3 m-85 -95.12 121.5 36.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.749 0.309 . . . . 0.0 110.591 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.652 ' H ' ' NE2' ' A' ' 71' ' ' GLN . 98.4 m-20 -79.09 94.79 5.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.572 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.559 ' HB1' ' HA3' ' A' ' 69' ' ' GLY . . . 163.03 155.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.569 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -102.97 128.14 49.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.548 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 70.3 t -106.98 138.18 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.484 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.7 tt -136.45 136.83 39.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.688 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 mp -108.72 145.17 35.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.563 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.6 HH11 ' CG ' ' A' ' 43' ' ' GLU . 19.4 ttm180 -142.42 134.16 26.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.572 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -87.41 155.52 19.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.518 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 40' ' ' GLU . 46.5 p-10 -56.57 -26.41 55.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.603 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.444 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 99.3 mt-10 -69.35 -22.59 63.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.56 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.13 4.66 31.0 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 m -80.62 111.42 17.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.816 0.341 . . . . 0.0 110.626 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.6 ' CG ' HH11 ' A' ' 37' ' ' ARG . 99.7 mt-10 -70.98 100.48 1.99 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.62 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.413 ' HA ' ' CB ' ' A' ' 51' ' ' ALA . . . -84.31 47.33 1.32 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.561 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -39.52 119.91 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.664 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.52 ' C ' ' H ' ' A' ' 48' ' ' SER . . . -55.3 -33.4 63.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.623 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.538 ' O ' ' CG ' ' A' ' 47' ' ' ASN . 0.1 OUTLIER -74.53 33.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.594 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.52 ' H ' ' C ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -155.27 125.77 6.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.578 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.8 m -68.07 -38.87 80.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.617 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 82.3 mt -60.43 -33.32 53.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.561 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.413 ' CB ' ' HA ' ' A' ' 44' ' ' ALA . . . -65.65 -42.37 91.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.632 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.641 HD21 ' CB ' ' A' ' 20' ' ' ALA . 6.7 mt -59.7 -37.65 79.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.628 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.413 ' O ' ' HB2' ' A' ' 56' ' ' ASP . 65.4 tp -64.4 -36.21 83.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.58 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 21.3 mmt -67.66 -35.81 79.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.512 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.4 mt -60.88 -24.04 65.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.594 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.413 ' HB2' ' O ' ' A' ' 53' ' ' LEU . 96.1 m-20 -56.42 -35.78 68.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.582 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 89.6 p -84.95 2.44 42.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.544 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -87.48 24.32 1.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.619 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -75.03 99.21 3.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.542 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.39 0.04 40.43 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 88.2 mtt-85 -102.47 165.7 10.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.779 0.324 . . . . 0.0 110.545 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -100.17 141.86 32.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.516 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 43.5 pt -127.17 159.39 37.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.618 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -116.97 107.79 14.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.583 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.5 t -88.29 117.39 31.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.621 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -113.97 135.6 53.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.64 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 72' ' ' GLU . . . -134.5 129.12 34.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.588 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.402 ' OG1' ' CG2' ' A' ' 2' ' ' THR . 65.9 m -123.12 130.28 52.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.572 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.559 ' HA3' ' HB1' ' A' ' 32' ' ' ALA . . . 139.93 165.09 10.15 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -46.93 -45.72 20.19 Favored 'Trans proline' 0 C--N 1.303 -1.832 0 C-N-CA 122.874 2.383 . . . . 0.0 112.139 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.652 ' NE2' ' H ' ' A' ' 31' ' ' ASP . 77.4 mt-30 -90.77 5.13 49.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.638 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.536 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 21.3 pt-20 -39.79 -40.21 0.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.603 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.427 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 94.6 mt-10 -65.64 -49.1 69.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.597 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -63.86 -50.14 69.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.528 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.96 -47.69 74.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.559 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 58.4 tp -63.62 -42.59 98.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.554 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.14 -41.41 96.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.553 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.87 -46.3 88.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.639 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 96.2 t -65.11 -42.6 94.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.572 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 50.7 mt -66.73 -39.33 83.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.576 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.5 -36.74 83.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.619 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.6 mt -69.79 -41.1 75.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.535 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.58 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 6.8 m-30 -70.84 -29.52 65.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.6 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.501 ' O ' ' HB2' ' A' ' 85' ' ' SER . 53.3 t30 -88.5 -7.5 56.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.589 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.501 ' HB2' ' O ' ' A' ' 84' ' ' ASN . 72.2 m . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.061 -0.971 . . . . 0.0 110.542 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.9 mtt . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 66.2 p -135.35 156.0 49.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.538 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.635 ' O ' HD11 ' A' ' 76' ' ' LEU . 78.9 t -135.52 118.83 23.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.554 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.538 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 47.4 pttt -123.39 170.56 10.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.683 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.538 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 50.5 mt-30 -157.98 133.43 8.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.476 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.6 127.04 33.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.621 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 53.5 t -130.35 125.97 60.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.506 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -71.29 133.8 46.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.651 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.416 ' HB ' ' O ' ' A' ' 61' ' ' ARG . 12.8 mm -98.59 108.63 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.599 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.785 ' O ' ' CB ' ' A' ' 11' ' ' ASN . 54.2 m -142.14 34.83 1.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.593 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.785 ' CB ' ' O ' ' A' ' 10' ' ' THR . 62.1 t-20 109.54 11.36 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.527 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 1.019 ' HB3' ' O ' ' A' ' 83' ' ' PHE . 45.2 mttm -103.64 -8.44 19.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.552 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.4 tp -59.13 13.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.589 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.722 ' H ' ' C ' ' A' ' 12' ' ' LYS . . . 104.12 139.42 10.11 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 97.6 mmm -57.35 -43.69 83.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.786 0.327 . . . . 0.0 110.554 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.603 ' C ' ' H ' ' A' ' 18' ' ' ARG . 57.4 t-80 -165.01 84.01 0.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.577 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 21' ' ' MET . . . 55.18 2.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.508 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.603 ' H ' ' C ' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -43.6 -59.62 3.26 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.604 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.463 ' CD ' ' CB ' ' A' ' 18' ' ' ARG . 40.7 Cg_endo -70.7 -51.47 0.3 Allowed 'Trans proline' 0 C--N 1.304 -1.809 0 C-N-CA 122.807 2.338 . . . . 0.0 112.098 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 23' ' ' LEU . . . -51.97 -55.44 20.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.544 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.413 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 39.0 mmm -58.6 -47.12 85.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.509 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -61.23 -37.81 84.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.6 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 3.6 mt -49.66 -50.04 44.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.578 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.552 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 5.8 m-85 -49.81 -42.82 47.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.593 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -78.21 -34.25 49.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.491 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.498 ' O ' ' HB2' ' A' ' 30' ' ' PHE . 4.6 tp -63.87 -45.57 88.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.546 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 43.5 mtm -61.31 -35.68 78.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.519 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -58.06 -41.66 83.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.546 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.71 -21.99 27.28 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.498 ' HB2' ' O ' ' A' ' 26' ' ' LEU . 3.2 m-85 -91.27 125.25 35.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.822 0.344 . . . . 0.0 110.563 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.612 ' H ' ' NE2' ' A' ' 71' ' ' GLN . 93.5 m-20 -78.29 96.31 5.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.519 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.591 ' HB1' ' HA3' ' A' ' 69' ' ' GLY . . . 158.86 152.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.573 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -100.71 130.16 46.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.678 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 92.8 t -105.98 137.22 37.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.535 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.407 HD23 ' NE ' ' A' ' 37' ' ' ARG . 1.5 tt -136.73 134.6 37.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.605 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -105.19 151.39 24.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.492 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.407 ' NE ' HD23 ' A' ' 35' ' ' LEU . 73.5 mtt180 -148.0 134.25 19.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.565 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -92.78 157.46 16.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.553 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.406 ' O ' ' OD1' ' A' ' 39' ' ' ASP . 65.5 t0 -52.89 -31.41 39.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.586 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -67.18 -11.31 57.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.621 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.28 15.57 55.31 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 m -85.08 113.48 21.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.738 0.304 . . . . 0.0 110.579 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -72.06 100.86 2.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.534 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -86.73 58.35 5.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.594 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -41.29 119.93 1.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.58 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.552 ' O ' ' CZ ' ' A' ' 24' ' ' PHE . . . -59.64 -31.22 69.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.551 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 56.9 p30 -76.7 28.6 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.534 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.501 ' H ' ' C ' ' A' ' 46' ' ' ALA . 7.3 t -148.66 123.2 9.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.606 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.7 m -65.8 -33.44 63.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.559 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 85.4 mt -60.71 -35.92 67.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.599 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.87 -45.46 78.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.529 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.5 mp -54.95 -36.53 65.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.583 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.9 mt -70.09 -35.99 74.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.583 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 21.4 mmt -68.34 -35.64 78.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.599 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.4 mt -62.39 -32.66 73.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.578 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -52.37 -30.37 28.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.553 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 84.9 p -82.35 -5.63 58.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.612 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.77 29.29 0.54 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.565 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -71.99 97.06 1.8 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.635 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.62 4.28 40.01 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.416 ' O ' ' HB ' ' A' ' 9' ' ' ILE . 92.4 mtt-85 -106.08 159.55 15.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.759 0.314 . . . . 0.0 110.609 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -93.31 143.95 25.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.583 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 33.7 pt -129.6 160.03 41.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.607 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -122.14 98.59 6.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.541 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 40.8 t -80.35 126.2 39.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.541 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -119.2 138.62 52.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.601 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.412 ' O ' ' HB2' ' A' ' 72' ' ' GLU . . . -137.02 131.53 32.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.597 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 60.2 m -124.96 129.93 51.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.547 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.591 ' HA3' ' HB1' ' A' ' 32' ' ' ALA . . . 138.66 165.5 10.3 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -47.01 -43.13 25.17 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.815 2.344 . . . . 0.0 112.143 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.612 ' NE2' ' H ' ' A' ' 31' ' ' ASP . 77.9 mt-30 -95.0 12.92 26.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.557 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.501 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 22.2 pt-20 -46.76 -44.07 18.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.606 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.476 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 38.3 mt-10 -66.77 -45.29 78.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.594 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -61.13 -49.01 79.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.599 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.07 -46.5 68.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.564 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.635 HD11 ' O ' ' A' ' 3' ' ' VAL . 1.5 mt -66.77 -41.86 87.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.526 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.27 -44.18 97.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.528 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.17 -44.36 97.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.5 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 83.9 t -68.88 -41.94 82.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.608 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 44.5 mt -64.9 -42.67 95.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.574 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.74 -34.5 75.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.604 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.9 mt -74.86 -37.63 62.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.573 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 1.019 ' O ' ' HB3' ' A' ' 12' ' ' LYS . 3.3 m-85 -69.68 -33.98 73.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.613 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -73.44 -12.1 60.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.542 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.1 m . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.602 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.454 ' O ' ' O ' ' A' ' 2' ' ' THR . 27.3 ttt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.454 ' O ' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER 56.76 116.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.57 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.683 ' O ' HD13 ' A' ' 76' ' ' LEU . 96.7 t -137.86 117.43 15.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.558 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.561 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 48.5 pttt -119.73 166.65 12.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.619 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.561 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 22.7 mt-30 -159.48 131.88 6.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.505 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.79 128.18 33.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.669 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 97.3 t -130.79 131.21 64.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.495 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -78.61 135.24 37.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.685 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.0 mm -93.66 127.84 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.478 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 1.133 ' O ' ' OD1' ' A' ' 11' ' ' ASN . 51.1 m -133.79 97.67 3.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.615 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 1.133 ' OD1' ' O ' ' A' ' 10' ' ' THR . 1.4 m120 94.17 -26.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.601 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.785 ' HB3' ' O ' ' A' ' 11' ' ' ASN . 15.7 ptpt 154.53 -172.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.595 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.573 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 91.4 mt -56.74 -39.81 74.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.583 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.57 ' O ' ' HD2' ' A' ' 12' ' ' LYS . . . 170.97 -127.25 1.42 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 67.8 mtt -71.73 94.32 1.36 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.753 0.311 . . . . 0.0 110.569 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 78.9 m80 56.96 -109.22 0.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.557 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -132.32 2.29 3.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.621 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.535 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 2.0 mtt85 -53.16 -49.02 90.02 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.581 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.535 ' CD ' ' N ' ' A' ' 18' ' ' ARG . 52.1 Cg_exo -47.66 -58.68 1.6 Allowed 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.781 2.321 . . . . 0.0 112.108 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.7 -42.88 99.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.481 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 12.0 mmt -65.05 -43.96 90.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.503 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -62.28 -38.4 89.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.573 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.4 mt -47.43 -44.9 25.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.538 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -52.73 -38.48 60.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.572 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -75.15 -31.41 61.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.48 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.524 HD21 ' CE1' ' A' ' 30' ' ' PHE . 68.7 mt -65.07 -44.17 89.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.553 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.422 ' SD ' ' O ' ' A' ' 32' ' ' ALA . 36.0 mmm -52.3 -30.79 29.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.576 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -81.19 -42.46 20.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.544 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.23 -40.32 55.97 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.555 ' CD2' ' N ' ' A' ' 30' ' ' PHE . 3.5 m-30 -100.48 150.78 22.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.793 0.33 . . . . 0.0 110.595 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -99.95 95.15 6.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.621 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.709 ' HB3' ' HA3' ' A' ' 69' ' ' GLY . . . 171.36 150.32 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.517 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 68' ' ' THR . 86.1 tt0 -94.97 139.17 31.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.596 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.9 m -114.97 146.37 19.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.499 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 tt -143.1 137.67 29.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.667 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.4 mt -110.7 150.14 29.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.533 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -151.15 132.93 14.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.559 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.469 ' OD1' ' CD2' ' A' ' 55' ' ' LEU . 96.4 m-20 -87.13 156.93 19.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.555 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 40' ' ' GLU . 48.1 p-10 -53.41 -23.43 9.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.6 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.434 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 99.4 mt-10 -72.55 -6.13 41.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.578 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.53 20.01 59.18 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 m -89.38 116.43 27.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.338 . . . . 0.0 110.562 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -82.57 104.89 13.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.63 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.447 ' CB ' ' HB1' ' A' ' 51' ' ' ALA . . . -102.79 96.36 6.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.612 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -43.09 121.82 2.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.518 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.65 -3.26 20.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.537 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -110.74 22.59 15.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.592 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 39.5 t -137.69 134.18 35.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.57 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.95 -30.95 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.53 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 84.0 mt -61.47 -39.18 82.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.613 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.447 ' HB1' ' CB ' ' A' ' 44' ' ' ALA . . . -69.08 -40.06 78.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.636 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 92.1 mt -60.68 -40.08 90.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.525 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.0 mt -63.82 -38.91 92.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.629 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 97.7 mtp -70.04 -39.05 75.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.553 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.469 ' CD2' ' OD1' ' A' ' 38' ' ' ASN . 91.5 mt -64.13 -30.2 71.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.538 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -54.0 -35.86 62.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.562 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.442 ' C ' ' H ' ' A' ' 59' ' ' LYS . 75.6 m -73.61 -4.59 35.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.585 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.44 29.41 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.563 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.442 ' H ' ' C ' ' A' ' 57' ' ' SER . 13.4 pttp -70.06 98.3 1.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.543 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 104.21 6.94 41.5 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -110.71 157.15 20.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.756 0.313 . . . . 0.0 110.561 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -92.27 143.85 25.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.578 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 28.2 pt -130.8 162.49 38.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.542 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -122.55 105.39 10.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.613 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 48.9 t -85.74 130.2 36.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.592 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -123.27 139.49 53.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.614 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.35 138.09 37.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.492 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 33' ' ' GLU . 32.5 m -133.74 130.74 38.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.483 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.709 ' HA3' ' HB3' ' A' ' 32' ' ' ALA . . . 142.97 165.37 10.61 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -47.64 -42.23 29.85 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.792 2.328 . . . . 0.0 112.081 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -107.8 29.5 7.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.56 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.477 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 17.0 pt-20 -58.14 -37.89 75.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.586 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -63.33 -47.92 80.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.558 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -55.64 -48.22 75.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.583 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.6 -48.39 72.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.582 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.683 HD13 ' O ' ' A' ' 3' ' ' VAL . 0.9 OUTLIER -65.88 -41.68 91.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.557 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.68 -43.76 93.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.559 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.25 -43.87 98.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.558 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 92.1 t -67.82 -44.16 85.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.511 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.416 ' CD1' ' NE2' ' A' ' 5' ' ' GLN . 49.6 mt -64.4 -40.51 89.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.534 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.79 -36.87 84.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.543 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 50.3 mt -71.54 -40.26 70.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.559 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.573 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 6.9 m-30 -70.62 -30.42 67.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.546 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.632 ' C ' ' HG ' ' A' ' 85' ' ' SER . 55.6 t30 -87.24 -3.25 59.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.566 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.632 ' HG ' ' C ' ' A' ' 84' ' ' ASN . 0.4 OUTLIER . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 118.074 -0.965 . . . . 0.0 110.617 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.402 ' O ' ' OE2' ' A' ' 72' ' ' GLU . 55.4 ttp . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 78.1 p -84.69 155.17 22.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.586 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.66 ' O ' HD21 ' A' ' 76' ' ' LEU . 96.0 t -135.67 116.3 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.561 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.521 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 46.7 pttt -121.84 165.73 15.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.604 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.521 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 63.9 mt-30 -157.08 130.33 7.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.547 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.48 128.95 34.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.625 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 58.9 t -131.82 127.43 58.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.598 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -75.26 134.61 41.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.558 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.43 ' HB ' ' O ' ' A' ' 61' ' ' ARG . 14.1 mm -98.29 109.49 23.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.598 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.884 ' O ' ' HB2' ' A' ' 11' ' ' ASN . 18.1 m -133.64 44.47 2.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.518 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.884 ' HB2' ' O ' ' A' ' 10' ' ' THR . 97.6 m-20 88.81 24.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.486 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.589 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 10.8 ptmt -122.76 12.92 9.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.568 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.472 ' O ' ' HG2' ' A' ' 19' ' ' PRO . 3.2 tp -76.78 -17.56 58.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.59 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 147.96 128.3 1.77 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 24.1 mmt -56.85 -46.84 81.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.792 0.33 . . . . 0.0 110.563 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 77.6 m80 -135.03 35.44 3.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.554 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.401 ' C ' ' HD2' ' A' ' 19' ' ' PRO . . . 72.07 2.84 4.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.541 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.496 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -41.0 -51.65 7.29 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.576 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 18' ' ' ARG . 54.1 Cg_exo -47.04 -49.29 12.89 Favored 'Trans proline' 0 C--N 1.304 -1.803 0 C-N-CA 122.82 2.346 . . . . 0.0 112.067 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.52 ' CB ' HD22 ' A' ' 52' ' ' LEU . . . -57.09 -52.09 66.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.442 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 63.4 mtt -61.81 -43.11 99.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.489 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -64.31 -37.43 87.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.458 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 mt -53.77 -43.91 69.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.475 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -55.59 -40.72 72.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.467 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -71.63 -35.44 70.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.519 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.0 mt -67.12 -42.13 85.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.499 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 31.2 mtp -56.66 -36.66 69.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.503 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -72.22 -34.91 68.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.515 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.92 -35.97 26.43 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.497 ' CD2' ' N ' ' A' ' 30' ' ' PHE . 6.2 m-30 -97.57 153.18 18.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.768 0.318 . . . . 0.0 110.576 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -100.33 94.36 6.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.552 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.721 ' HB2' ' HA3' ' A' ' 69' ' ' GLY . . . 168.91 151.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.558 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -96.41 133.05 41.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.614 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 70.5 t -104.13 143.08 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.58 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tt -137.78 133.19 33.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.572 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 mt -118.94 148.77 42.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.594 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.461 ' HE ' ' HB2' ' A' ' 64' ' ' GLU . 21.7 ptt180 -157.95 142.24 16.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.574 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -88.82 161.28 16.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.569 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -60.51 -28.58 68.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.524 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.729 ' OE2' ' NH2' ' A' ' 61' ' ' ARG . 94.9 mt-10 -62.19 -18.04 59.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.61 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.44 7.77 39.26 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.8 m -82.06 111.68 18.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 0.0 110.549 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -81.59 106.24 13.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.571 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.436 ' CB ' ' HB2' ' A' ' 51' ' ' ALA . . . -97.25 83.49 3.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.502 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.513 ' C ' ' H ' ' A' ' 47' ' ' ASN . 96.3 mt-10 -39.27 121.27 1.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.559 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.63 8.57 0.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.556 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.569 ' N ' ' OD1' ' A' ' 47' ' ' ASN . 0.2 OUTLIER -128.1 33.78 4.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.55 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.3 t -149.8 129.19 12.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.624 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.5 m -65.92 -32.26 57.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.569 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 87.4 mt -60.63 -38.6 78.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.585 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.436 ' HB2' ' CB ' ' A' ' 44' ' ' ALA . . . -67.89 -38.42 82.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.552 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.52 HD22 ' CB ' ' A' ' 20' ' ' ALA . 53.3 tp -58.58 -40.83 84.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.619 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.7 tp -60.04 -38.26 82.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.553 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 89.3 mtp -69.93 -35.84 74.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.636 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.7 mt -64.75 -27.07 68.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.604 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -53.8 -36.74 62.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.558 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 96.6 p -77.55 1.67 18.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.538 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.75 23.56 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.56 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -71.57 97.01 1.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.519 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 103.71 5.65 44.66 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.729 ' NH2' ' OE2' ' A' ' 40' ' ' GLU . 7.3 mtp180 -108.38 160.13 16.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.793 0.33 . . . . 0.0 110.564 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -94.21 145.39 24.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.537 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 25.3 pt -133.2 163.12 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.557 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.461 ' HB2' ' HE ' ' A' ' 37' ' ' ARG . 10.5 mt-10 -121.49 106.93 11.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.539 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.444 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 4.7 t -86.34 125.2 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.523 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 72.9 tt0 -126.56 143.13 51.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.575 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -143.7 145.85 32.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.554 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 29.8 m -135.29 131.34 36.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.557 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.721 ' HA3' ' HB2' ' A' ' 32' ' ' ALA . . . 141.08 165.73 10.44 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -47.71 -43.19 29.19 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.812 2.341 . . . . 0.0 112.189 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -106.03 29.02 7.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.522 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.459 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 12.4 pt-20 -57.96 -37.89 75.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.505 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.467 ' HG3' ' H ' ' A' ' 74' ' ' GLU . 2.9 pt-20 -64.76 -46.22 83.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.54 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.467 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 74.2 tt0 -53.39 -51.98 60.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.681 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.49 -47.56 57.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.577 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.66 HD21 ' O ' ' A' ' 3' ' ' VAL . 2.0 mp -65.87 -41.17 91.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.548 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.66 -43.36 93.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.593 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.19 -43.74 97.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.481 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 86.5 t -70.15 -46.55 71.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.494 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 42.5 mt -63.44 -39.45 85.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.473 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 85' ' ' SER . . . -62.5 -32.59 73.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.509 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.55 -47.54 75.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.526 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.622 ' CD2' ' N ' ' A' ' 83' ' ' PHE . 2.5 m-30 -75.05 -25.0 58.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.497 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.404 ' O ' ' HB2' ' A' ' 85' ' ' SER . 63.0 t30 -97.28 -2.73 42.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.554 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 81' ' ' ALA . 70.4 m . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.617 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ttt . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.8 p -81.15 157.66 25.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.59 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 86.8 t -135.38 119.49 25.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.578 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 46.4 pttt -124.88 172.38 9.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.573 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.86 130.14 2.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.58 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.33 130.0 35.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.623 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.9 p -138.6 133.28 42.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.559 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.436 ' OE1' ' N ' ' A' ' 8' ' ' GLU . 31.0 mp0 -74.61 134.55 42.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.577 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.7 mm -86.62 121.25 37.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.506 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.656 ' O ' ' HB3' ' A' ' 11' ' ' ASN . 11.3 t -136.52 105.94 6.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.604 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.656 ' HB3' ' O ' ' A' ' 10' ' ' THR . 45.0 t30 80.27 34.12 0.15 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.598 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.625 ' HB2' ' O ' ' A' ' 11' ' ' ASN . 58.1 mttp 79.63 -165.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.507 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.708 ' O ' ' HG2' ' A' ' 19' ' ' PRO . 11.1 mp -81.45 17.27 1.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.505 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 152.09 -146.06 14.36 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 23.2 mmt -65.53 -33.97 77.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.825 0.345 . . . . 0.0 110.588 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -156.91 -94.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.573 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -135.87 2.72 2.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.643 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.535 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 24.8 mtp85 -51.56 -48.99 85.22 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.584 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.708 ' HG2' ' O ' ' A' ' 13' ' ' LEU . 50.4 Cg_exo -48.37 -50.1 12.92 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.816 2.344 . . . . 0.0 112.145 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.591 ' CB ' HD13 ' A' ' 52' ' ' LEU . . . -65.01 -42.73 94.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.521 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 46.8 mtt -67.48 -45.95 74.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.582 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.9 tttt -60.74 -38.98 86.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.486 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 mt -48.75 -43.11 37.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.574 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -57.23 -40.18 77.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.589 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -70.39 -34.89 73.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.53 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.617 ' O ' ' N ' ' A' ' 30' ' ' PHE . 5.2 mp -66.98 -41.16 87.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.597 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.506 ' HG2' ' N ' ' A' ' 28' ' ' GLN . 1.9 ptt? -56.58 -34.7 67.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.526 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.506 ' N ' ' HG2' ' A' ' 27' ' ' MET . 58.2 tt0 -67.75 -41.67 82.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.647 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.15 -20.71 37.91 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.617 ' N ' ' O ' ' A' ' 26' ' ' LEU . 16.3 m-85 -99.38 126.07 45.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.751 0.31 . . . . 0.0 110.601 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.654 ' H ' ' NE2' ' A' ' 71' ' ' GLN . 84.5 m-20 -84.57 96.49 9.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.566 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 68' ' ' THR . . . 163.08 150.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.557 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -95.31 134.72 37.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.676 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 m -107.18 144.27 16.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.497 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.5 tt -145.13 130.64 18.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.621 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.412 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 6.6 mt -107.1 153.18 23.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.533 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 54.7 mtp180 -149.07 134.26 18.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.548 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -93.6 157.6 16.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.572 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 65.8 t0 -51.57 -31.83 26.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.593 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.9 mp0 -68.16 -5.07 16.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.522 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.71 20.66 63.24 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.5 m -87.22 113.69 23.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.763 0.316 . . . . 0.0 110.559 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -73.81 105.38 5.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.557 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.21 76.65 2.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.526 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -41.8 121.64 1.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.553 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.63 -3.18 10.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.487 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -108.48 19.68 19.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.541 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.0 m -136.92 130.12 31.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.594 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.0 m -67.22 -33.16 61.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.486 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 86.6 mt -60.77 -38.17 78.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.602 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.52 -41.2 84.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.549 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.591 HD13 ' CB ' ' A' ' 20' ' ' ALA . 42.6 tp -55.83 -39.45 71.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.596 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.3 mt -64.08 -39.49 94.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.589 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 21.8 mmt -66.68 -36.63 82.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.518 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.4 mt -63.37 -35.86 81.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.523 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -50.84 -34.66 28.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.48 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 87.5 p -73.75 -9.2 58.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.488 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -84.18 30.48 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.557 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -71.02 99.77 1.87 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.548 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 102.21 1.51 51.13 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 83.2 mtt-85 -100.6 168.8 9.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.832 0.348 . . . . 0.0 110.568 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -99.26 143.0 30.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.594 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 30.3 pt -131.86 163.3 37.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.542 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -123.32 102.22 7.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.598 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.6 t -82.52 130.94 34.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.574 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -128.13 141.16 51.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.565 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.64 142.02 35.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.638 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.506 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 31.1 m -129.41 141.57 51.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.578 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.475 ' HA3' ' HB1' ' A' ' 32' ' ' ALA . . . 129.94 -179.15 17.02 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.546 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 51.6 Cg_endo -73.01 -25.27 16.43 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.834 2.356 . . . . 0.0 112.176 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.654 ' NE2' ' H ' ' A' ' 31' ' ' ASP . 74.5 mt-30 -105.64 3.88 29.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.574 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.514 ' CG ' ' N ' ' A' ' 73' ' ' GLU . 14.2 pt-20 -46.41 -46.82 18.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.642 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.514 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 93.6 mt-10 -59.19 -47.57 84.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.596 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -64.94 -48.26 74.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.545 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.3 -46.31 83.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.605 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 58.3 tp -62.11 -42.41 99.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.611 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.64 -40.66 88.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.528 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.71 -45.49 89.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.558 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 99.4 t -66.82 -43.75 89.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.547 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 53.6 mt -65.52 -39.5 85.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.586 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.83 -34.96 78.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.586 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.9 mt -70.31 -40.83 74.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.649 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.605 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 5.4 m-30 -70.2 -30.52 67.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.546 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.626 ' O ' ' OD1' ' A' ' 84' ' ' ASN . 21.8 t-20 -76.42 -3.79 38.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.608 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.624 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 mmt . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 58.8 p -80.37 157.0 26.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.539 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.4 t -136.32 119.96 23.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.58 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 48.5 pttt -124.24 175.39 7.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.602 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -165.81 131.53 2.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.508 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.76 125.52 30.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.636 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 95.5 t -129.61 129.64 66.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.547 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.7 mp0 -72.45 138.19 46.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.584 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 15.3 mm -90.74 109.23 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.602 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.648 ' O ' ' HB3' ' A' ' 11' ' ' ASN . 47.7 m -125.63 104.51 8.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.632 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.682 ' O ' ' CB ' ' A' ' 12' ' ' LYS . 52.2 t30 81.56 16.76 0.47 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.568 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.682 ' CB ' ' O ' ' A' ' 11' ' ' ASN . 0.9 OUTLIER 95.34 -170.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.594 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.708 ' O ' ' HG2' ' A' ' 19' ' ' PRO . 78.6 mt -70.92 19.38 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.518 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.578 ' H ' ' C ' ' A' ' 12' ' ' LYS . . . 116.25 -105.31 1.36 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 75.9 mmm -72.44 -162.14 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.808 0.337 . . . . 0.0 110.572 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.421 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 75.2 m80 -55.2 -34.87 64.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.512 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.421 ' CB ' ' O ' ' A' ' 16' ' ' HIS . . . 166.47 9.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.601 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.559 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 8.8 mpt_? -52.12 -48.03 90.01 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.509 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.708 ' HG2' ' O ' ' A' ' 13' ' ' LEU . 51.4 Cg_exo -49.53 -55.65 3.92 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.748 2.299 . . . . 0.0 112.094 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.583 ' CB ' HD11 ' A' ' 52' ' ' LEU . . . -60.42 -43.51 96.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.535 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 52.0 mtt -66.34 -44.61 82.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.625 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -61.33 -38.16 85.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.512 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 mt -47.0 -46.07 21.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.551 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.426 ' CE1' ' O ' ' A' ' 46' ' ' ALA . 9.2 m-85 -56.01 -37.35 69.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.487 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -75.41 -35.56 60.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.552 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.457 HD21 ' CE1' ' A' ' 30' ' ' PHE . 93.9 mt -62.75 -43.98 97.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.506 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 78.5 mtp -57.51 -33.94 68.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.492 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -77.07 -43.94 32.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.557 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.12 -40.52 82.78 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.533 ' CD2' ' N ' ' A' ' 30' ' ' PHE . 4.0 m-30 -96.45 163.5 13.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.758 0.313 . . . . 0.0 110.548 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -104.94 92.32 4.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.538 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.632 ' HB3' ' HA3' ' A' ' 69' ' ' GLY . . . 172.22 155.51 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.604 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 68' ' ' THR . 85.2 tt0 -100.43 133.33 45.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.546 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 97.6 t -109.76 138.58 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.507 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 tt -136.81 134.29 36.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.659 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 32.4 mt -109.1 150.37 27.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.593 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -151.62 137.44 18.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.637 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.517 ' OD1' ' CD2' ' A' ' 55' ' ' LEU . 75.7 m-20 -91.27 154.77 19.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.543 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 56.1 t0 -55.47 -26.75 44.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.627 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.427 ' HG3' HH11 ' A' ' 61' ' ' ARG . 95.6 mt-10 -66.46 -18.53 65.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.549 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.29 8.51 38.24 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 77.9 m -83.67 114.14 21.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.79 0.329 . . . . 0.0 110.512 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -82.87 105.38 13.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.593 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 45' ' ' GLU . . . -95.51 70.55 3.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.506 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.566 ' HB3' HD21 ' A' ' 47' ' ' ASN . 91.7 mt-10 -38.27 120.95 0.94 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.528 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.426 ' O ' ' CE1' ' A' ' 24' ' ' PHE . . . -62.4 0.12 0.5 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.569 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.566 HD21 ' HB3' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -110.23 25.54 11.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.575 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.35 123.86 14.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.47 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.0 m -64.81 -36.67 78.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.591 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 81.4 mt -62.49 -35.92 72.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.529 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.37 -42.99 92.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.578 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.583 HD11 ' CB ' ' A' ' 20' ' ' ALA . 49.5 tp -60.51 -40.19 90.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.582 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.66 -30.66 71.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.576 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 47.0 tpp -72.81 -36.02 67.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.544 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.517 ' CD2' ' OD1' ' A' ' 38' ' ' ASN . 96.0 mt -64.89 -18.46 65.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.585 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -54.63 -37.73 66.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.621 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 71.8 m -78.95 0.38 27.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.594 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -85.0 30.04 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.628 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.9 pttp -75.35 96.92 3.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.539 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 106.23 7.27 35.44 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.427 HH11 ' HG3' ' A' ' 40' ' ' GLU . 62.7 mtp85 -107.93 159.71 16.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 110.515 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -93.85 143.34 26.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.601 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 42.7 pt -129.8 163.39 35.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.56 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -122.15 100.55 7.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.556 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.8 t -83.17 128.04 39.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.535 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -123.64 139.52 53.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.585 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -135.88 133.02 37.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.572 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 33' ' ' GLU . 25.9 m -127.42 132.2 50.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.593 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.632 ' HA3' ' HB3' ' A' ' 32' ' ' ALA . . . 140.31 166.05 10.52 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -47.38 -42.51 27.96 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.781 2.321 . . . . 0.0 112.154 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -101.93 22.31 13.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.568 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.426 ' CG ' ' N ' ' A' ' 73' ' ' GLU . 22.4 pt-20 -49.79 -41.34 44.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.518 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.426 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 93.1 mt-10 -64.08 -46.4 84.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.621 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -56.83 -49.39 75.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.569 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.56 -46.51 80.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.542 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 43.7 tp -64.59 -44.11 91.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.494 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.7 -42.66 97.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.505 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.16 -43.66 98.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.57 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 57.9 t -67.05 -43.74 88.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.584 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 43.0 mt -64.37 -40.61 89.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.555 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.21 -34.59 76.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.536 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -72.5 -41.0 66.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.486 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.586 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 5.8 m-30 -70.55 -32.12 69.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.591 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.511 ' O ' ' C ' ' A' ' 85' ' ' SER . 61.9 t30 -93.84 -5.07 48.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.58 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.511 ' C ' ' O ' ' A' ' 84' ' ' ASN . 12.8 t . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.068 -0.968 . . . . 0.0 110.547 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.402 ' H3 ' ' H ' ' A' ' 2' ' ' THR . 62.4 mmm . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.402 ' H ' ' H3 ' ' A' ' 1' ' ' MET . 70.4 p -132.49 155.26 48.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.535 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.773 ' O ' HD11 ' A' ' 76' ' ' LEU . 83.7 t -134.89 120.2 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.516 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.507 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 11.3 pttm -119.29 164.9 14.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.632 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.507 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 55.6 mt-30 -156.56 129.16 7.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.533 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.77 126.15 30.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.512 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 92.3 t -130.28 131.62 65.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.588 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -77.09 133.02 39.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.441 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.588 HG21 ' H ' ' A' ' 60' ' ' GLY . 4.3 mm -84.11 116.71 28.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.624 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.619 ' O ' ' HB3' ' A' ' 11' ' ' ASN . 8.7 t -135.54 108.21 7.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.49 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.817 ' O ' ' OD1' ' A' ' 11' ' ' ASN . 37.5 t-20 83.18 18.53 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.428 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.698 ' HB2' ' O ' ' A' ' 11' ' ' ASN . 6.8 tttp 96.21 -176.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.434 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.2 mt -56.58 -3.32 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.571 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.544 ' H ' ' C ' ' A' ' 12' ' ' LYS . . . 142.73 -137.31 7.66 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 76.5 mtm -75.87 119.84 20.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.788 0.328 . . . . 0.0 110.526 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 47.11 -100.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.511 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -151.52 9.82 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.535 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.569 ' NH1' ' SD ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -56.94 -49.45 93.84 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.635 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 18' ' ' ARG . 58.5 Cg_exo -46.64 -57.75 2.09 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.743 2.295 . . . . 0.0 112.078 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.48 -47.46 85.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.527 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.569 ' SD ' ' NH1' ' A' ' 18' ' ' ARG . 65.2 mtt -65.23 -41.44 94.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.483 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 18' ' ' ARG . 60.4 mttm -62.95 -37.34 86.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.499 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 mt -48.71 -45.79 39.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.433 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.434 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 16.6 m-85 -55.85 -42.42 75.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.44 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -70.91 -38.11 72.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.419 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' A' ' 30' ' ' PHE . 93.5 mt -63.35 -42.91 98.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.407 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 77.1 mtp -56.92 -36.66 70.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.517 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -63.7 -42.08 98.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.476 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -89.09 -20.54 45.67 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.553 ' N ' ' O ' ' A' ' 26' ' ' LEU . 9.5 m-85 -99.57 125.93 45.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.773 0.32 . . . . 0.0 110.576 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.572 ' N ' ' OE1' ' A' ' 71' ' ' GLN . 83.7 m-20 -81.17 95.51 6.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.488 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 31' ' ' ASP . . . 163.48 153.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.59 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -99.09 125.86 44.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.549 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 73.1 t -103.84 137.2 33.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.519 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.0 tt -137.66 136.71 37.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.582 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.2 mt -107.7 148.41 29.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.604 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.0 ttp85 -147.52 134.84 20.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.527 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -89.66 156.9 18.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.602 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -54.37 -26.68 31.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.522 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -67.52 -9.93 46.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.616 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.65 14.24 58.52 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.8 m -86.29 117.52 25.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.786 0.327 . . . . 0.0 110.563 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -79.88 105.92 11.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.541 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -97.09 75.79 2.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.587 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -40.31 120.95 1.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.55 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.434 ' O ' ' CZ ' ' A' ' 24' ' ' PHE . . . -65.91 -14.42 61.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.562 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.504 ' O ' ' OD1' ' A' ' 47' ' ' ASN . 28.0 t-20 -99.17 30.34 3.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.557 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.0 t -146.1 126.1 13.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.555 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.8 m -66.4 -31.91 55.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.542 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 86.0 mt -60.97 -39.48 82.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.519 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.09 -42.24 80.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.579 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.6 mp -56.58 -39.62 73.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.594 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.8 mt -68.18 -31.84 71.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.569 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 14.6 tpt -72.26 -34.8 68.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.53 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.5 mt -65.78 -23.21 66.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.591 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -52.99 -35.75 59.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.539 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.429 ' C ' ' H ' ' A' ' 59' ' ' LYS . 92.8 p -74.94 -9.62 58.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.516 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.408 ' O ' ' CG2' ' A' ' 9' ' ' ILE . . . -80.68 30.92 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.533 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.429 ' H ' ' C ' ' A' ' 57' ' ' SER . 2.9 ptmm? -73.78 97.49 2.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.559 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.588 ' H ' HG21 ' A' ' 9' ' ' ILE . . . 103.29 4.87 46.89 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.442 ' O ' ' HB ' ' A' ' 9' ' ' ILE . 83.4 mtt-85 -102.11 167.12 10.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.758 0.313 . . . . 0.0 110.525 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -99.05 143.52 29.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.511 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 17.8 pt -132.77 160.52 42.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.637 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -121.41 100.69 7.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.549 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 17.2 t -78.7 128.97 38.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.498 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 73.4 tt0 -123.5 136.72 54.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.643 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.56 137.2 39.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.498 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.419 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 89.5 m -124.98 138.27 54.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.612 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 132.4 -177.92 18.41 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.497 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 44.6 Cg_endo -71.77 -26.82 18.77 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.806 2.337 . . . . 0.0 112.14 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.572 ' OE1' ' N ' ' A' ' 31' ' ' ASP . 51.0 mt-30 -104.76 9.43 34.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.503 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.496 ' CG ' ' N ' ' A' ' 73' ' ' GLU . 20.7 pt-20 -48.82 -48.97 41.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.569 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.496 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 2.8 pt-20 -62.0 -39.59 92.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.479 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -67.67 -49.53 62.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.564 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.78 -44.44 70.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.582 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.773 HD11 ' O ' ' A' ' 3' ' ' VAL . 76.9 mt -63.05 -41.54 99.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.494 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.79 -44.25 90.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.49 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.23 -42.95 96.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.45 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 61.9 t -68.49 -45.98 81.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.472 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 57.6 mt -63.02 -41.57 93.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.469 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.31 -35.95 82.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.428 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 19.5 mt -72.63 -38.36 67.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.426 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -68.01 -32.6 73.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.519 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -72.01 -12.01 61.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.517 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 67.6 m . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.634 -179.985 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.416 ' C ' ' OG1' ' A' ' 2' ' ' THR . 7.7 tpt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.416 ' OG1' ' C ' ' A' ' 1' ' ' MET . 0.1 OUTLIER 63.21 117.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.551 179.898 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.1 t -131.95 119.3 40.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.509 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.1 166.28 16.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.639 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.422 ' OE1' HD12 ' A' ' 80' ' ' ILE . 53.7 tt0 -169.77 135.44 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.551 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.531 ' H ' ' HG1' ' A' ' 6' ' ' THR . 0.1 OUTLIER -79.8 135.05 36.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.566 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 86.7 t -135.03 127.38 48.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.675 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -71.2 131.57 43.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.49 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.565 ' CG2' ' O ' ' A' ' 58' ' ' ALA . 4.9 mm -85.62 118.51 32.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.71 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.675 ' O ' ' HB2' ' A' ' 11' ' ' ASN . 52.5 m -133.07 103.55 6.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.459 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.675 ' HB2' ' O ' ' A' ' 10' ' ' THR . 35.5 m120 80.27 35.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.481 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.631 ' HB2' ' O ' ' A' ' 11' ' ' ASN . 52.9 mttp 81.01 -168.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.497 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.91 ' O ' ' HG2' ' A' ' 19' ' ' PRO . 8.6 mp -77.15 21.11 0.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.554 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.461 ' H ' ' C ' ' A' ' 12' ' ' LYS . . . 131.77 -140.29 11.67 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 28.0 ttt -96.59 119.4 35.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.755 0.312 . . . . 0.0 110.597 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 68.8 m80 55.41 15.54 1.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.554 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.444 ' C ' ' HD2' ' A' ' 19' ' ' PRO . . . 70.76 13.79 7.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.574 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.528 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 1.1 mtt85 -42.25 -49.65 11.79 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.513 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.91 ' HG2' ' O ' ' A' ' 13' ' ' LEU . 53.1 Cg_exo -47.51 -45.14 23.86 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.847 2.365 . . . . 0.0 112.064 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.6 -51.13 70.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.494 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 20.1 mmt -62.16 -40.87 97.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.41 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -66.42 -37.26 84.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.503 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 mt -49.1 -45.63 43.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.459 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.511 ' CE1' ' O ' ' A' ' 46' ' ' ALA . 8.8 m-85 -57.58 -42.61 83.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.38 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -71.54 -38.5 71.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.376 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.508 ' O ' ' N ' ' A' ' 30' ' ' PHE . 78.5 mt -64.4 -40.9 96.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.461 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 14.7 mtm -56.45 -36.97 69.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.531 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -61.02 -41.76 97.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.511 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.98 -18.8 45.54 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.508 ' N ' ' O ' ' A' ' 26' ' ' LEU . 9.5 m-85 -99.69 119.99 38.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.795 0.331 . . . . 0.0 110.514 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.476 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 66.7 t0 -78.47 98.94 6.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.578 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.549 ' HB3' ' HA3' ' A' ' 69' ' ' GLY . . . 161.63 152.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.561 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -98.23 132.8 43.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.574 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 52.2 t -105.7 139.49 26.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.557 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.442 HD22 ' CD ' ' A' ' 37' ' ' ARG . 1.3 tt -137.74 126.68 24.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.504 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.0 mp -106.91 153.53 22.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.665 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.442 ' CD ' HD22 ' A' ' 35' ' ' LEU . 83.7 mtm180 -147.34 132.13 17.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.501 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -86.42 156.24 20.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.601 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -53.59 -36.75 62.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.543 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -65.22 -6.29 9.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.513 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.85 18.44 56.26 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 21.2 m -83.33 110.52 18.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.341 . . . . 0.0 110.562 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -70.68 105.2 3.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.547 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -100.91 72.16 1.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.576 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 55.1 mp0 -39.35 120.43 1.04 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.587 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.511 ' O ' ' CE1' ' A' ' 24' ' ' PHE . . . -58.05 -15.54 9.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.52 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.457 ' O ' ' OD1' ' A' ' 47' ' ' ASN . 29.0 t-20 -104.84 46.22 0.93 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.58 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.2 t -157.04 121.08 4.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.586 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.1 m -64.8 -33.81 65.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.556 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 86.4 mt -62.4 -37.1 77.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.451 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.48 -42.57 87.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.585 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 45.9 tp -57.93 -39.71 78.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.569 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.78 -35.61 81.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.588 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -37.96 80.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.552 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.33 -21.91 66.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.602 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -50.72 -37.38 41.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.533 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.467 ' C ' ' H ' ' A' ' 59' ' ' LYS . 88.7 p -76.45 -6.53 52.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.584 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.565 ' O ' ' CG2' ' A' ' 9' ' ' ILE . . . -78.29 30.73 0.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.596 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.467 ' H ' ' C ' ' A' ' 57' ' ' SER . 65.8 tttm -74.36 96.05 2.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.54 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.467 ' H ' HG21 ' A' ' 9' ' ' ILE . . . 102.51 4.62 49.48 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.417 ' O ' ' HB ' ' A' ' 9' ' ' ILE . 84.2 mtt-85 -100.37 169.2 9.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.811 0.339 . . . . 0.0 110.574 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -101.2 143.48 31.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.509 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 15.7 pt -132.75 158.65 43.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.638 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -117.52 103.99 10.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.541 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.2 t -85.86 126.73 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.553 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -124.42 140.09 53.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.599 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 72' ' ' GLU . . . -136.83 134.04 36.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.586 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 37.3 m -127.03 130.06 49.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.597 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.549 ' HA3' ' HB3' ' A' ' 32' ' ' ALA . . . 138.92 168.34 11.22 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -48.1 -41.35 33.87 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.864 2.376 . . . . 0.0 112.129 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -100.73 21.23 13.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.582 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.461 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 23.6 pt-20 -53.06 -45.88 68.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.491 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.446 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 22.9 pt-20 -68.32 -36.78 79.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.613 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -64.75 -51.72 60.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.577 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.95 -43.99 73.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.54 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.3 tp -62.18 -44.99 95.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.534 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.83 -43.23 94.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.538 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.8 -44.43 96.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.524 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 58.7 t -66.81 -44.79 88.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.467 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.422 HD12 ' OE1' ' A' ' 5' ' ' GLN . 56.5 mt -63.13 -41.8 94.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.491 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.83 -35.65 80.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.445 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.5 mt -73.0 -41.14 64.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.407 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -67.14 -30.12 70.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.484 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.626 ' C ' ' HG ' ' A' ' 85' ' ' SER . 22.0 t-20 -82.79 -0.77 49.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.507 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.626 ' HG ' ' C ' ' A' ' 84' ' ' ASN . 0.7 OUTLIER . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.577 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.7 mtm . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.492 ' CG2' ' HG1' ' A' ' 68' ' ' THR . 69.5 p -87.66 160.63 18.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.508 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.53 ' CG2' ' O ' ' A' ' 67' ' ' ALA . 3.2 m -125.57 120.59 58.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.559 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -119.44 143.86 47.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.627 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.417 ' NE2' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -146.06 132.68 19.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.54 179.917 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.513 ' H ' ' HG1' ' A' ' 6' ' ' THR . 0.1 OUTLIER -86.16 127.96 34.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.652 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 85.3 t -128.81 130.36 68.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.508 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.488 ' OE1' ' N ' ' A' ' 8' ' ' GLU . 41.6 mp0 -79.72 127.95 32.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.613 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.463 ' CG2' ' O ' ' A' ' 58' ' ' ALA . 5.3 mm -79.42 111.18 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.545 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.628 ' O ' ' HB3' ' A' ' 11' ' ' ASN . 71.6 m -129.05 108.9 10.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.577 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.775 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 58.5 t30 83.0 13.87 0.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.564 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.863 ' O ' ' N ' ' A' ' 14' ' ' GLY . 15.4 tttm 99.6 168.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.569 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 12' ' ' LYS . 72.1 mt -37.33 -9.29 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.546 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.863 ' N ' ' O ' ' A' ' 12' ' ' LYS . . . 157.57 -161.41 31.32 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 62.3 mtt -59.29 -38.19 79.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.833 0.349 . . . . 0.0 110.589 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.796 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 69.6 t60 -145.98 179.19 7.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.538 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.642 ' H ' ' CG ' ' A' ' 16' ' ' HIS . . . -78.2 2.31 18.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.588 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.577 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 16.2 mtt-85 -56.54 -47.02 99.73 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.544 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.796 ' HD2' ' O ' ' A' ' 16' ' ' HIS . 50.6 Cg_exo -48.55 -56.6 2.99 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 122.816 2.344 . . . . 0.0 112.059 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.92 -39.92 93.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.473 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 13.1 mmt -68.58 -44.67 73.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.515 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -62.74 -37.16 85.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.579 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 mt -44.6 -45.96 9.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.562 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.615 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 6.3 m-85 -53.04 -36.91 61.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.501 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -79.22 -33.32 43.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.446 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.553 HD23 ' CE1' ' A' ' 30' ' ' PHE . 72.6 mt -60.29 -49.87 75.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.506 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.572 ' HG3' ' N ' ' A' ' 28' ' ' GLN . 1.8 ppp? -53.15 -28.47 26.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.541 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.572 ' N ' ' HG3' ' A' ' 27' ' ' MET . 8.5 tp-100 -82.62 -43.61 16.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.508 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.72 -34.68 62.59 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.553 ' CE1' HD23 ' A' ' 26' ' ' LEU . 6.4 m-85 -103.57 146.81 27.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.771 0.32 . . . . 0.0 110.629 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -91.0 94.96 9.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.499 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.755 ' HB1' ' HA3' ' A' ' 69' ' ' GLY . . . 168.89 157.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.615 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -101.79 130.38 48.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.588 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 22.8 m -108.58 145.63 15.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.543 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.3 tt -146.34 140.38 26.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.601 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.8 mp -109.72 147.81 32.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.531 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.503 HH11 ' CG ' ' A' ' 43' ' ' GLU . 19.7 ttm180 -146.93 134.27 20.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.559 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -94.97 161.04 14.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.569 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -52.52 -34.06 48.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.536 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.499 ' OE2' ' CZ ' ' A' ' 61' ' ' ARG . 98.3 mt-10 -65.1 -9.81 25.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.54 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.64 7.5 66.66 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.4 m -77.15 112.08 13.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.816 0.341 . . . . 0.0 110.576 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.503 ' CG ' HH11 ' A' ' 37' ' ' ARG . 99.8 mt-10 -76.75 100.22 5.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.635 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -84.41 57.56 4.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.569 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.423 ' HB3' HD21 ' A' ' 47' ' ' ASN . 13.0 mp0 -41.08 120.54 1.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.571 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.615 ' O ' ' CZ ' ' A' ' 24' ' ' PHE . . . -58.46 -30.18 66.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.56 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.435 ' O ' ' CG ' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -74.99 22.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.558 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.511 ' H ' ' C ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -142.95 121.16 12.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.518 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.6 m -64.94 -36.48 77.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.56 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 81.6 mt -61.87 -35.42 67.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.674 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.64 -43.96 87.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.607 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.9 mp -58.49 -35.41 72.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.599 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.1 -33.78 75.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.589 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 22.0 mmt -69.08 -35.7 76.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.572 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.3 mt -62.72 -25.4 68.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.603 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -53.32 -35.12 59.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.616 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.1 m -82.5 1.83 35.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.561 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.463 ' O ' ' CG2' ' A' ' 9' ' ' ILE . . . -84.88 28.39 0.69 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.653 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -75.52 96.35 3.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.531 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 106.84 4.84 36.25 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.499 ' CZ ' ' OE2' ' A' ' 40' ' ' GLU . 95.1 mtt180 -107.34 162.73 13.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.818 0.342 . . . . 0.0 110.597 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -99.64 148.02 24.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.569 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 15.1 pt -134.71 160.18 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.565 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -119.53 102.56 8.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.541 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 25.4 t -81.92 122.46 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.574 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 53.7 tt0 -115.69 135.37 54.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.531 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.53 ' O ' ' CG2' ' A' ' 3' ' ' VAL . . . -135.53 131.53 36.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.569 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.492 ' HG1' ' CG2' ' A' ' 2' ' ' THR . 37.3 m -124.62 130.32 52.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.569 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.755 ' HA3' ' HB1' ' A' ' 32' ' ' ALA . . . 141.27 163.8 9.7 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -47.36 -48.44 15.16 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.809 2.339 . . . . 0.0 112.183 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 74' ' ' GLU . 77.3 mt-30 -92.94 7.86 42.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.563 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.514 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 25.4 pt-20 -39.35 -35.89 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.566 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -66.17 -46.51 77.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.587 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 71' ' ' GLN . 74.5 tt0 -55.54 -51.88 65.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.563 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.85 -48.39 70.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.549 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.48 HD12 ' O ' ' A' ' 3' ' ' VAL . 1.4 mt -64.72 -44.73 89.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.493 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.47 -42.43 99.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.584 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.49 -44.82 93.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.487 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 82.2 t -66.89 -43.62 89.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.531 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 55.5 mt -64.04 -42.13 94.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.576 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.58 -35.1 78.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.522 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -73.53 -39.43 64.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.459 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.404 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 3.1 m-85 -69.08 -32.74 72.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.535 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.48 ' O ' ' CB ' ' A' ' 85' ' ' SER . 8.4 m120 -96.24 -6.76 37.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.621 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 2.9 m . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.62 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.2 ptp . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.63 120.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.567 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.3 t -131.26 120.54 46.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.541 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 1.3 pttm -126.0 167.02 15.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.6 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.427 ' NE2' HD11 ' A' ' 80' ' ' ILE . 3.8 tt0 -168.76 135.34 1.84 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.525 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.07 134.11 35.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.598 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 71.7 t -136.3 126.81 41.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.574 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -71.83 130.66 41.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.664 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.455 HG23 ' H ' ' A' ' 60' ' ' GLY . 6.3 mm -81.78 114.55 22.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.561 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.722 ' O ' ' HB3' ' A' ' 11' ' ' ASN . 14.6 t -124.54 99.97 6.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.554 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.722 ' HB3' ' O ' ' A' ' 10' ' ' THR . 43.8 t30 84.89 29.77 0.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.525 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.698 ' HB2' ' O ' ' A' ' 11' ' ' ASN . 57.1 mttp 81.65 -162.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.512 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.666 ' O ' ' HG2' ' A' ' 19' ' ' PRO . 18.8 mt -68.47 2.87 2.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.524 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.439 ' H ' ' C ' ' A' ' 12' ' ' LYS . . . 145.92 -130.57 3.79 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 94.6 mmm -65.35 -34.58 78.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.831 0.348 . . . . 0.0 110.572 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.63 ' CG ' ' N ' ' A' ' 17' ' ' ALA . 59.9 t60 -163.73 -95.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.562 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.63 ' N ' ' CG ' ' A' ' 16' ' ' HIS . . . -134.71 3.35 3.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.655 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.512 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 6.8 mtp180 -47.53 -50.99 47.43 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.517 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.666 ' HG2' ' O ' ' A' ' 13' ' ' LEU . 53.5 Cg_exo -47.14 -50.94 10.2 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.768 2.312 . . . . 0.0 112.077 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.485 ' CB ' HD13 ' A' ' 52' ' ' LEU . . . -61.11 -46.29 91.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.481 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 68.2 mtp -63.25 -45.73 90.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.499 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -64.39 -39.14 93.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.442 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 mt -49.04 -45.3 42.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.525 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.53 ' CE1' ' O ' ' A' ' 46' ' ' ALA . 3.8 m-85 -55.58 -38.21 69.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.459 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -73.5 -35.41 65.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.451 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.558 HD23 ' CE1' ' A' ' 30' ' ' PHE . 66.1 mt -62.43 -44.21 96.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.47 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 48.2 mmm -56.06 -32.16 63.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.492 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -80.56 -43.21 21.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.534 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.78 -40.04 75.96 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.558 ' CE1' HD23 ' A' ' 26' ' ' LEU . 5.7 m-30 -98.82 158.6 15.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.791 0.329 . . . . 0.0 110.479 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -103.17 92.95 4.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.527 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.516 ' HB1' ' HA3' ' A' ' 69' ' ' GLY . . . 174.49 154.36 0.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.552 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -99.54 127.38 45.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.601 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 81.8 t -106.67 138.32 32.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.583 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.7 tt -137.53 132.39 33.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.558 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.5 mt -107.18 150.58 26.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.555 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.8 ttp180 -150.87 135.94 17.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.617 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.439 ' OD1' ' CD2' ' A' ' 55' ' ' LEU . 93.2 m-20 -89.09 154.46 20.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.599 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.406 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 39.9 p-10 -56.28 -22.93 33.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.576 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -69.72 -17.49 63.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.598 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 102.56 10.09 39.17 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.4 m -86.96 116.28 24.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.824 0.345 . . . . 0.0 110.519 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -79.43 105.65 10.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.55 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 45' ' ' GLU . . . -93.66 64.75 3.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.557 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.446 ' HG2' ' H ' ' A' ' 47' ' ' ASN . 72.3 tt0 -39.24 120.94 1.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.562 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.53 ' O ' ' CE1' ' A' ' 24' ' ' PHE . . . -59.27 -7.68 1.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.538 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.469 ' O ' ' OD1' ' A' ' 47' ' ' ASN . 28.7 t-20 -108.0 42.7 1.31 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.577 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.63 124.44 5.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.571 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.5 m -64.3 -38.95 83.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.559 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 88.3 mt -61.05 -35.92 68.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.623 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.36 -41.66 93.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.631 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.485 HD13 ' CB ' ' A' ' 20' ' ' ALA . 44.1 tp -59.97 -39.55 86.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.564 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.5 mt -63.76 -36.33 83.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.591 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 59.4 mtt -67.21 -38.72 85.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.539 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.439 ' CD2' ' OD1' ' A' ' 38' ' ' ASN . 96.6 mt -61.78 -26.95 68.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.488 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -53.71 -38.12 63.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.548 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 44.6 t -76.9 1.67 16.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.578 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.442 ' O ' ' CG2' ' A' ' 9' ' ' ILE . . . -90.02 30.57 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.556 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -75.44 95.41 3.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.571 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.455 ' H ' HG23 ' A' ' 9' ' ' ILE . . . 105.52 4.69 40.15 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -104.09 167.79 9.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.766 0.317 . . . . 0.0 110.581 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -99.88 142.15 31.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.626 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.1 pt -130.06 163.49 35.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.588 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -120.72 108.02 13.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.547 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 94.1 t -89.88 126.18 42.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.613 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -122.2 138.07 54.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.555 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.1 134.44 34.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.494 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 29.8 m -131.05 132.37 44.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.491 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.516 ' HA3' ' HB1' ' A' ' 32' ' ' ALA . . . 141.37 167.12 11.04 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -47.87 -43.96 28.28 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.84 2.36 . . . . 0.0 112.123 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -106.18 30.33 6.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.595 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.473 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 14.4 pt-20 -59.39 -38.08 79.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.565 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -64.06 -47.27 80.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.52 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -55.05 -51.04 67.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.519 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.04 -47.69 68.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.535 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.0 -44.74 95.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.514 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.85 -43.14 94.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.542 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.99 -43.3 99.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.531 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.9 t -67.25 -44.69 87.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.477 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.427 HD11 ' NE2' ' A' ' 5' ' ' GLN . 45.2 mt -63.12 -40.72 90.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.47 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.96 -34.6 76.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.509 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -70.89 -40.66 72.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.527 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.533 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 7.6 m-30 -68.46 -31.63 71.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.548 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.745 ' O ' ' OG ' ' A' ' 85' ' ' SER . 84.2 m-20 -96.02 -7.05 37.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.592 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.745 ' OG ' ' O ' ' A' ' 84' ' ' ASN . 31.1 p . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.554 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.453 ' C ' ' OG1' ' A' ' 2' ' ' THR . 73.7 mtm . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.453 ' OG1' ' C ' ' A' ' 1' ' ' MET . 0.0 OUTLIER 62.71 120.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.489 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.503 HG11 ' O ' ' A' ' 3' ' ' VAL . 13.5 p -138.4 122.97 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.627 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 3.9 pttm -123.27 168.38 12.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.515 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -165.62 134.22 3.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.612 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.19 127.2 32.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.618 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.2 t -123.41 130.27 74.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.47 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -86.72 122.7 30.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.552 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.462 HG23 HD12 ' A' ' 9' ' ' ILE . 65.1 mt -81.73 114.78 23.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.576 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.65 ' CG2' ' O ' ' A' ' 10' ' ' THR . 6.4 m -84.23 60.4 5.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.5 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.7 m120 60.74 23.35 13.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.462 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.3 mttp -178.17 125.94 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.595 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.4 mt -65.32 -6.82 10.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.475 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 165.09 -138.29 5.17 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.541 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 96.2 mmm -79.97 -36.17 36.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.814 0.34 . . . . 0.0 110.527 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.619 ' C ' ' H ' ' A' ' 18' ' ' ARG . 0.3 OUTLIER 158.76 83.71 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.57 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 55.74 -0.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.507 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.619 ' H ' ' C ' ' A' ' 16' ' ' HIS . 1.7 mmt180 -50.17 -55.68 23.17 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.578 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 18' ' ' ARG . 47.5 Cg_endo -72.29 -50.33 0.25 Allowed 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.784 2.323 . . . . 0.0 112.093 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.468 ' O ' ' HB2' ' A' ' 23' ' ' LEU . . . -48.41 -53.12 18.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.477 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 44.8 mtm -63.54 -50.42 69.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.473 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -59.35 -33.17 70.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.497 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.468 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 2.7 mt -48.82 -51.54 28.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.465 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -51.9 -41.82 62.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.416 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -75.76 -35.25 60.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.462 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.2 tp -63.83 -42.81 97.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.506 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.452 ' O ' ' O ' ' A' ' 30' ' ' PHE . 84.6 mtp -58.09 -32.65 68.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.527 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -66.19 -42.93 88.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.486 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.57 -32.31 34.29 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.452 ' O ' ' O ' ' A' ' 27' ' ' MET . 7.4 m-30 -93.61 133.04 37.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.752 0.311 . . . . 0.0 110.517 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.765 ' O ' ' HD2' ' A' ' 70' ' ' PRO . 84.9 m-20 -85.04 91.17 8.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.58 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.472 ' CB ' ' O ' ' A' ' 68' ' ' THR . . . 170.77 156.35 0.07 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.547 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -102.93 131.99 49.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.512 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 90.9 t -107.46 137.0 40.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.546 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.0 tt -134.57 131.98 38.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.532 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.2 mt -106.41 148.84 27.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.636 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.598 HH11 ' CG ' ' A' ' 43' ' ' GLU . 19.8 ttm180 -147.35 134.25 20.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.497 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.412 ' OD1' ' CD2' ' A' ' 55' ' ' LEU . 93.4 m-20 -91.36 157.89 16.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.639 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 59.5 t0 -53.48 -28.76 32.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.611 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -67.83 -11.73 59.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.582 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.69 14.91 57.59 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.4 m -84.03 114.56 21.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.778 0.323 . . . . 0.0 110.496 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.598 ' CG ' HH11 ' A' ' 37' ' ' ARG . 98.6 mt-10 -74.55 104.92 5.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.577 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -96.06 68.28 2.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.532 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.573 ' HB3' HD21 ' A' ' 47' ' ' ASN . 93.9 mt-10 -40.36 120.86 1.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.623 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.48 13.19 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.547 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.573 HD21 ' HB3' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -117.62 19.07 14.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.625 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.2 t -143.8 129.93 19.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.597 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.0 m -64.23 -31.36 53.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.597 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 83.7 mt -61.81 -39.61 84.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.637 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.71 -41.33 88.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.568 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.8 mt -58.76 -36.85 75.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.605 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -67.37 -36.15 80.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.547 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 60.7 mtt -67.47 -39.15 85.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.525 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 58' ' ' ALA . 96.5 mt -61.18 -36.95 81.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.546 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.408 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 66.3 t0 -48.67 -34.52 12.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.554 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.444 ' C ' ' H ' ' A' ' 59' ' ' LYS . 89.6 p -77.02 -7.68 56.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.533 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 55' ' ' LEU . . . -79.65 28.86 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.544 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.444 ' H ' ' C ' ' A' ' 57' ' ' SER . 28.7 pttt -70.43 98.2 1.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.616 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.11 0.74 41.52 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 65.3 mtp85 -103.78 160.83 14.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 0.0 110.581 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -92.89 147.32 22.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.613 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 16.4 pt -132.83 159.71 43.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.557 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -119.64 97.54 5.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.566 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 14.9 t -79.0 128.36 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.576 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -126.94 140.51 52.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.472 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.09 137.46 37.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.579 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.472 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 39.3 m -125.26 142.2 51.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.556 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 127.89 -177.2 17.72 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.765 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 44.3 Cg_endo -71.7 -30.88 13.96 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.828 2.352 . . . . 0.0 112.087 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.715 ' NE2' ' H ' ' A' ' 31' ' ' ASP . 72.9 mt-30 -102.43 9.8 39.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.597 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.448 ' CG ' ' N ' ' A' ' 73' ' ' GLU . 22.3 pt-20 -46.57 -45.63 18.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.518 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.448 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 1.9 pt-20 -60.1 -44.49 94.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.515 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.414 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 90.5 mt-10 -61.58 -49.99 74.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.563 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.09 -47.37 83.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.465 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.4 tp -64.24 -45.97 85.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.519 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.53 -42.3 99.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.505 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.36 -45.32 93.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.478 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 96.8 t -68.08 -45.02 84.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.533 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 59.0 mt -62.55 -44.0 98.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.442 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.85 -34.04 73.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.49 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -74.21 -40.88 62.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.549 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -67.59 -33.33 74.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.565 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.576 ' O ' ' C ' ' A' ' 85' ' ' SER . 89.5 m-20 -93.86 -4.57 49.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.528 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.576 ' C ' ' O ' ' A' ' 84' ' ' ASN . 11.4 t . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.554 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.9 mtm . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.403 ' CG2' ' OG1' ' A' ' 68' ' ' THR . 67.5 p -83.2 159.67 21.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.51 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 94.1 t -137.02 117.49 17.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.576 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.6 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 48.3 pttt -123.25 174.52 7.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.645 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.6 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 52.2 mt-30 -163.86 134.58 4.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.479 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.17 124.62 28.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.641 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 93.2 t -125.08 133.21 70.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.512 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.462 ' OE1' ' N ' ' A' ' 8' ' ' GLU . 37.6 mp0 -88.22 128.1 35.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.541 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.521 HG23 ' H ' ' A' ' 60' ' ' GLY . 36.5 mt -82.12 125.39 39.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.538 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.626 ' O ' ' HB2' ' A' ' 11' ' ' ASN . 22.2 m -120.88 103.71 9.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.551 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.692 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 63.9 m-20 81.42 -47.46 0.23 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.489 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.692 ' HG3' ' O ' ' A' ' 11' ' ' ASN . 95.8 mttt -166.95 177.47 6.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.555 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.2 mt -62.04 -28.3 69.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.562 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 172.1 -136.51 3.85 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.412 ' O ' ' N ' ' A' ' 17' ' ' ALA . 97.6 mtp -75.83 98.89 4.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.811 0.339 . . . . 0.0 110.514 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 56.75 -88.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.551 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 15' ' ' MET . . . -157.43 9.36 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.48 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.551 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 38.9 mtt180 -58.8 -48.51 96.69 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.57 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 18' ' ' ARG . 52.5 Cg_exo -47.74 -53.3 6.75 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.685 2.257 . . . . 0.0 112.113 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.62 -41.47 96.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.469 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 11.1 mmt -71.04 -48.03 55.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.472 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.8 tttm -61.3 -34.25 74.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.52 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -46.73 -46.03 20.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.499 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.421 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 23.4 m-85 -56.7 -39.55 74.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.483 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -69.97 -37.82 75.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.417 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.614 ' O ' ' N ' ' A' ' 30' ' ' PHE . 5.8 mp -64.55 -43.18 94.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.49 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 83.9 mtp -56.94 -35.92 69.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.489 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -65.1 -41.17 95.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.488 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.15 -19.23 39.96 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.614 ' N ' ' O ' ' A' ' 26' ' ' LEU . 13.2 m-85 -100.73 122.7 43.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.821 0.343 . . . . 0.0 110.538 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.558 ' OD2' ' NE2' ' A' ' 71' ' ' GLN . 11.6 m-20 -79.33 95.35 5.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.596 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.503 ' HB1' ' HA3' ' A' ' 69' ' ' GLY . . . 163.75 153.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.615 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -101.17 129.24 47.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.618 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.6 m -108.1 142.19 21.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.517 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 tt -140.22 138.44 35.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.607 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 mp -109.45 149.87 28.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.602 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -148.85 135.75 19.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.614 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -91.17 157.92 16.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.561 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 59.4 t0 -54.04 -28.2 37.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.591 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.61 ' OE2' ' NH2' ' A' ' 61' ' ' ARG . 43.8 mt-10 -66.56 -9.33 34.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.533 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.41 5.36 65.35 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.6 m -78.01 117.99 19.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.727 0.299 . . . . 0.0 110.59 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.0 pm0 -81.58 103.31 11.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.579 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -90.6 70.29 6.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.535 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -38.8 120.54 0.97 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.574 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.421 ' O ' ' CZ ' ' A' ' 24' ' ' PHE . . . -57.92 -27.58 63.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.511 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -90.8 42.97 1.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.573 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.45 ' HG ' ' H ' ' A' ' 51' ' ' ALA . 4.9 t -154.81 120.58 5.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.551 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.3 m -66.72 -32.51 58.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.629 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 86.9 mt -61.52 -36.36 72.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.581 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.45 ' H ' ' HG ' ' A' ' 48' ' ' SER . . . -69.67 -42.53 74.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.564 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.9 mp -56.21 -39.44 72.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.524 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.462 ' CD2' ' O ' ' A' ' 53' ' ' LEU . 1.7 tt -67.76 -35.75 79.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.539 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 14.3 tpt -70.36 -33.64 71.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.472 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.9 mt -63.5 -26.2 68.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.61 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.421 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 67.1 t0 -51.72 -33.19 33.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.558 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 84.8 p -78.75 -5.74 54.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.516 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.477 ' HB2' ' CD1' ' A' ' 9' ' ' ILE . . . -80.2 13.02 2.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.514 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.1 pttt -60.76 97.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.562 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.521 ' H ' HG23 ' A' ' 9' ' ' ILE . . . 103.65 1.68 46.51 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.61 ' NH2' ' OE2' ' A' ' 40' ' ' GLU . 25.1 mtp180 -103.7 159.66 15.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.776 0.322 . . . . 0.0 110.563 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -91.37 145.81 24.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.617 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 20.4 pt -132.69 161.0 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.588 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -121.78 100.04 6.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.591 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 8.6 t -81.0 128.78 38.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.538 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 75.4 tt0 -124.12 140.06 53.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.567 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.93 135.93 36.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.642 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.403 ' OG1' ' CG2' ' A' ' 2' ' ' THR . 28.8 m -130.01 131.49 45.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.52 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.503 ' HA3' ' HB1' ' A' ' 32' ' ' ALA . . . 138.05 167.4 11.01 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -47.78 -43.72 28.39 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.792 2.328 . . . . 0.0 112.045 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.558 ' NE2' ' OD2' ' A' ' 31' ' ' ASP . 79.0 mt-30 -98.36 20.4 12.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.578 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.462 ' CG ' ' N ' ' A' ' 73' ' ' GLU . 22.7 pt-20 -52.78 -43.0 65.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.591 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.462 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 91.1 mt-10 -66.67 -45.29 79.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.501 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -63.7 -49.88 71.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.532 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.56 -48.12 78.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.481 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.404 HD23 HE21 ' A' ' 5' ' ' GLN . 4.9 tp -63.72 -43.84 95.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.522 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.62 -42.44 96.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.498 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.19 -44.29 95.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.482 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 45.4 t -66.65 -43.21 90.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.463 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 68.3 mt -63.22 -42.19 95.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.556 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.16 -36.27 83.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.481 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 55.5 mt -72.35 -38.66 68.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.514 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -68.18 -31.88 71.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.573 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.581 ' O ' ' CB ' ' A' ' 85' ' ' SER . 86.8 m-20 -79.26 -9.21 59.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.503 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.581 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.022 -0.99 . . . . 0.0 110.541 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.0 ttt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.6 m -131.35 134.97 46.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.621 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 78.6 t -129.86 111.22 21.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.481 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.505 ' HD3' ' H ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -111.34 151.82 27.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.552 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.444 ' OE1' ' CD1' ' A' ' 80' ' ' ILE . 55.4 tt0 -158.96 133.16 7.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.558 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.475 ' H ' ' HG1' ' A' ' 6' ' ' THR . 0.1 OUTLIER -80.06 138.67 37.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.617 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 93.8 t -138.15 128.2 34.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.468 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -71.23 131.29 43.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.656 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.655 ' CG2' ' O ' ' A' ' 58' ' ' ALA . 4.8 mm -83.94 118.65 31.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.532 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.816 ' O ' ' HB2' ' A' ' 11' ' ' ASN . 10.0 t -134.6 102.94 5.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.635 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.816 ' HB2' ' O ' ' A' ' 10' ' ' THR . 98.2 m-20 83.87 26.92 0.09 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.609 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.584 ' CB ' ' O ' ' A' ' 11' ' ' ASN . 19.5 mttp 88.81 -164.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.643 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.6 ' O ' ' CB ' ' A' ' 19' ' ' PRO . 23.3 mt -73.73 26.31 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.634 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.543 ' H ' ' C ' ' A' ' 12' ' ' LYS . . . 121.76 -112.73 2.11 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 22.0 mmt -74.9 -147.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.85 0.357 . . . . 0.0 110.619 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.429 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 77.7 t60 -64.01 -30.5 71.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.572 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.429 ' CB ' ' O ' ' A' ' 16' ' ' HIS . . . 165.51 4.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.601 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.548 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 16.0 mtm180 -56.56 -47.99 97.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.595 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.6 ' CB ' ' O ' ' A' ' 13' ' ' LEU . 51.2 Cg_exo -48.17 -54.46 5.23 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.738 2.292 . . . . 0.0 112.111 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.563 ' HB3' HD13 ' A' ' 13' ' ' LEU . . . -63.35 -42.33 98.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.577 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 14.6 mmt -69.0 -41.53 77.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.482 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.8 tptt -63.56 -36.7 84.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.515 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 mt -49.01 -46.39 43.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.46 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.477 ' CE1' ' O ' ' A' ' 46' ' ' ALA . 6.1 m-85 -54.11 -40.02 66.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.492 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -72.61 -35.92 67.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.525 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.518 HD22 ' CE1' ' A' ' 30' ' ' PHE . 57.0 mt -63.02 -44.25 96.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.54 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.48 ' O ' ' O ' ' A' ' 30' ' ' PHE . 59.7 mtp -56.7 -35.68 68.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.557 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -73.19 -44.61 59.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.508 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.69 -33.35 63.5 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.518 ' CE1' HD22 ' A' ' 26' ' ' LEU . 5.9 m-30 -102.36 148.23 25.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.844 0.354 . . . . 0.0 110.593 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -93.91 93.84 8.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.521 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.655 ' HB1' ' HA3' ' A' ' 69' ' ' GLY . . . 170.2 153.53 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.491 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 68' ' ' THR . 85.8 tt0 -98.26 133.88 42.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.591 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 73.8 t -107.8 140.18 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.478 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.402 HD21 ' CD ' ' A' ' 37' ' ' ARG . 1.2 tt -139.76 132.86 29.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.647 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 48.8 mt -108.82 151.25 26.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.49 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.402 ' CD ' HD21 ' A' ' 35' ' ' LEU . 56.5 mtp180 -148.35 134.32 19.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.538 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -93.23 156.22 16.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.638 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.427 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 62.8 t0 -57.18 -29.9 64.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.613 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -65.61 -19.46 65.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.587 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 103.05 12.09 32.61 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 83.9 m -86.45 112.58 21.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 110.548 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -79.98 106.2 11.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.594 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.76 71.82 3.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.568 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.462 ' C ' ' H ' ' A' ' 47' ' ' ASN . 97.3 mt-10 -38.53 120.65 0.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.566 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.477 ' O ' ' CE1' ' A' ' 24' ' ' PHE . . . -64.38 0.29 1.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.604 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.462 ' H ' ' C ' ' A' ' 45' ' ' GLU . 54.1 p30 -112.52 27.9 9.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.611 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.5 m -144.67 125.41 14.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.615 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 35.4 m -65.46 -34.65 71.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.654 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 84.5 mt -61.54 -36.6 74.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.604 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.72 -40.69 84.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.562 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.9 mt -60.26 -39.04 85.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.584 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.477 ' CD2' ' O ' ' A' ' 53' ' ' LEU . 1.2 tt -68.14 -32.28 72.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.559 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 14.9 tpt -70.23 -36.08 74.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.571 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.6 mt -64.46 -23.1 67.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.583 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.411 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 66.4 t0 -51.07 -36.38 39.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.552 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.462 ' C ' ' H ' ' A' ' 59' ' ' LYS . 94.5 p -75.76 -8.15 56.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.481 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.655 ' O ' ' CG2' ' A' ' 9' ' ' ILE . . . -77.97 32.65 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.573 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.462 ' H ' ' C ' ' A' ' 57' ' ' SER . 65.4 tttp -75.41 96.18 3.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.532 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.404 ' H ' HG21 ' A' ' 9' ' ' ILE . . . 103.23 5.71 46.03 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.434 ' O ' ' HB ' ' A' ' 9' ' ' ILE . 87.4 mtt-85 -102.45 164.42 11.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.801 0.334 . . . . 0.0 110.581 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -99.34 143.67 29.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.565 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 15.8 pt -133.74 161.02 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.58 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -119.27 104.24 10.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.531 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 36.0 t -84.0 128.2 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.563 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -124.6 139.51 53.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.548 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.57 136.07 37.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.501 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.421 ' O ' ' N ' ' A' ' 33' ' ' GLU . 3.8 m -129.2 131.01 47.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.578 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.655 ' HA3' ' HB1' ' A' ' 32' ' ' ALA . . . 139.83 164.66 9.98 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -47.24 -45.39 22.13 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.801 2.334 . . . . 0.0 112.145 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -99.61 20.93 13.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.599 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.473 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 12.4 pt-20 -51.76 -38.16 54.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.601 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -64.32 -47.91 77.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.576 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 73.9 tt0 -53.47 -50.81 64.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.51 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.17 -48.24 74.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.584 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.96 -45.99 91.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.498 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.15 -42.32 99.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.542 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.16 -43.75 98.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.575 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 49.4 t -66.37 -43.7 91.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.601 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.444 ' CD1' ' OE1' ' A' ' 5' ' ' GLN . 56.4 mt -64.29 -41.24 91.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.488 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.66 -36.01 82.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.608 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.0 mt -72.43 -37.58 68.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.512 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -68.7 -31.56 70.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.578 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.698 ' O ' ' OG ' ' A' ' 85' ' ' SER . 83.2 m-20 -81.2 -6.03 58.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.543 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.698 ' OG ' ' O ' ' A' ' 84' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 118.033 -0.985 . . . . 0.0 110.548 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.5 ttp . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.0 p -83.2 162.7 21.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.58 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.5 t -134.4 118.67 27.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.454 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.424 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 46.0 pttt -125.3 176.01 7.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.59 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -166.95 135.11 2.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.466 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.28 125.85 32.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.614 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 94.2 t -131.3 131.76 63.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.523 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -76.58 131.0 38.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.608 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.6 ' CG2' ' O ' ' A' ' 58' ' ' ALA . 6.7 mm -81.01 119.79 31.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.588 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.655 ' O ' ' HB3' ' A' ' 11' ' ' ASN . 13.9 t -130.69 103.58 6.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.535 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.754 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 49.0 t30 80.05 30.07 0.25 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.548 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.754 ' HB2' ' O ' ' A' ' 11' ' ' ASN . 92.6 mttt 86.87 -162.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.564 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 36.7 mt -66.51 4.86 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.543 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.514 ' H ' ' C ' ' A' ' 12' ' ' LYS . . . 121.95 -108.34 1.29 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 95.9 mtp -90.71 96.92 10.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.767 0.317 . . . . 0.0 110.551 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 80.7 m80 59.46 -116.17 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.579 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -132.97 10.58 4.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.584 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.518 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 6.1 mtm180 -51.9 -50.28 78.98 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.593 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 18' ' ' ARG . 53.4 Cg_exo -47.35 -58.13 1.91 Allowed 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.823 2.348 . . . . 0.0 112.138 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.43 -45.56 91.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.546 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 48.4 mtt -63.92 -44.82 91.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.511 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -63.61 -35.75 81.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.508 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 mt -47.29 -46.82 25.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.504 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.563 ' CE1' ' O ' ' A' ' 46' ' ' ALA . 9.8 m-85 -50.04 -37.08 31.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.455 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -78.05 -34.58 50.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.552 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.514 HD22 ' CE1' ' A' ' 30' ' ' PHE . 82.7 mt -61.34 -49.53 76.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.522 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.614 ' HG3' ' N ' ' A' ' 28' ' ' GLN . 2.1 ppp? -56.62 -31.41 64.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.545 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.614 ' N ' ' HG3' ' A' ' 27' ' ' MET . 68.2 mt-30 -79.11 -43.48 23.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.55 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.74 -36.24 74.8 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.514 ' CE1' HD22 ' A' ' 26' ' ' LEU . 4.6 m-85 -100.85 162.21 13.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.35 . . . . 0.0 110.521 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.417 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 93.2 m-20 -100.75 92.92 5.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.543 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.796 ' HB3' ' HA3' ' A' ' 69' ' ' GLY . . . 167.28 157.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.549 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -102.83 133.14 48.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.617 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.5 m -108.13 142.47 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.56 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 tt -142.44 137.99 30.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.56 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.9 mt -109.42 150.88 27.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.574 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -150.1 137.99 20.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.625 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -91.68 154.76 18.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.571 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.469 ' OD1' ' N ' ' A' ' 40' ' ' GLU . 49.6 p-10 -54.86 -23.7 19.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.562 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.469 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 99.1 mt-10 -70.11 -16.19 63.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.571 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.92 9.96 47.52 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.6 m -85.16 115.32 22.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.711 0.291 . . . . 0.0 110.646 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -77.6 104.6 8.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.609 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -91.32 64.6 5.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.54 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -41.33 120.25 1.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.61 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.563 ' O ' ' CE1' ' A' ' 24' ' ' PHE . . . -62.75 -14.49 45.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.606 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.404 ' OD1' ' C ' ' A' ' 47' ' ' ASN . 45.2 p-10 -90.47 16.68 8.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.583 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 m -137.09 122.78 19.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.589 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.7 m -64.03 -34.66 70.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.566 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 84.0 mt -62.41 -36.23 73.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.5 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.67 -40.83 88.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.573 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.9 mt -60.11 -36.85 78.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.573 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.3 tp -66.42 -36.39 82.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.587 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 20.4 mmt -66.54 -36.14 81.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.611 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.76 -25.57 68.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.662 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -52.06 -36.92 52.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.553 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.502 ' C ' ' H ' ' A' ' 59' ' ' LYS . 92.6 p -76.87 -7.04 54.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.63 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.6 ' O ' ' CG2' ' A' ' 9' ' ' ILE . . . -75.99 29.99 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.58 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.502 ' H ' ' C ' ' A' ' 57' ' ' SER . 29.9 pttt -74.74 94.09 2.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.506 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 104.96 3.21 42.37 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.4 mtp85 -101.14 165.54 11.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.837 0.351 . . . . 0.0 110.564 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -100.51 142.79 31.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.599 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 21.5 pt -130.4 162.87 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.535 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -122.03 104.43 9.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.566 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 21.0 t -85.07 124.33 39.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.547 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -121.29 140.35 52.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.623 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.51 132.8 33.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.509 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.4 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 29.4 m -122.53 131.19 53.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.569 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.796 ' HA3' ' HB3' ' A' ' 32' ' ' ALA . . . 139.47 163.94 9.7 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -47.36 -46.94 18.72 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.844 2.363 . . . . 0.0 112.158 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.53 ' O ' ' N ' ' A' ' 74' ' ' GLU . 76.9 mt-30 -92.65 5.99 48.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.606 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.461 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 23.4 pt-20 -34.78 -37.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.553 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.491 ' HG3' ' H ' ' A' ' 74' ' ' GLU . 2.2 pt-20 -65.74 -47.27 75.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.606 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.53 ' N ' ' O ' ' A' ' 71' ' ' GLN . 35.2 tp10 -55.71 -52.46 63.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.582 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.76 -46.5 74.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.463 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 57.5 tp -65.47 -43.16 91.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.532 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.73 -42.39 98.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.584 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.47 -43.22 99.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.511 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 85.7 t -67.1 -41.75 87.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.513 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 47.3 mt -67.01 -38.89 82.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.55 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.35 -37.36 85.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.467 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.3 mt -68.34 -38.88 81.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.454 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.571 ' CD2' ' N ' ' A' ' 83' ' ' PHE . 6.7 m-30 -72.23 -29.14 63.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.521 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.518 ' O ' ' OD1' ' A' ' 84' ' ' ASN . 65.0 t-20 -73.78 -18.44 60.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.502 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.467 ' OXT' ' O ' ' A' ' 84' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.49 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.7 t . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.788 0.328 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 20.7 pttp -125.52 174.15 8.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.557 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.646 ' HB2' HD21 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -162.9 131.69 4.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.559 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.45 128.18 33.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.541 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 89.1 t -129.38 124.28 59.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.562 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -80.67 126.63 31.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.662 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.5 mm . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.559 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo . . . . . 0 N--CA 1.491 1.326 0 CA-C-O 120.839 0.266 . . . . 0.0 112.086 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.424 ' HB1' HD22 ' A' ' 52' ' ' LEU . . . -59.86 -45.72 91.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.545 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 94.0 mtp -67.07 -41.62 86.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.515 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.3 mmtm -62.74 -37.76 87.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.502 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.493 HD21 ' CG2' ' A' ' 79' ' ' VAL . 2.0 mt -49.85 -46.21 51.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.537 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.518 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 13.2 m-85 -55.72 -38.83 70.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.55 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -73.87 -35.66 64.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.505 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.668 HD22 ' CE1' ' A' ' 30' ' ' PHE . 85.7 mt -67.16 -43.31 82.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.469 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 5.0 ttt -55.59 -28.78 57.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.546 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 30.6 mm100 -84.51 -33.73 23.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.562 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.12 -36.15 32.33 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.668 ' CE1' HD22 ' A' ' 26' ' ' LEU . 7.5 m-85 -100.95 160.19 14.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.753 0.311 . . . . 0.0 110.558 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.532 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 68.2 t0 -103.26 93.05 4.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.542 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.532 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 170.97 158.09 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.603 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -102.45 126.16 49.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.541 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 91.5 t -103.68 135.07 43.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.556 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.1 tt -136.36 137.36 40.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.561 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.463 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 1.4 mp -108.64 150.13 27.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.537 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.497 HH11 ' CG ' ' A' ' 43' ' ' GLU . 17.7 ttm180 -147.39 135.59 21.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.574 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.579 HD21 HD23 ' A' ' 55' ' ' LEU . 88.1 m-20 -91.78 156.48 17.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.56 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -52.75 -28.22 21.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.59 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.632 ' OE2' ' NH2' ' A' ' 61' ' ' ARG . 44.3 mt-10 -67.73 -11.16 57.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.567 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.71 11.63 58.98 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 m -84.35 117.21 23.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.827 0.346 . . . . 0.0 110.552 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.497 ' CG ' HH11 ' A' ' 37' ' ' ARG . 96.3 mt-10 -77.93 103.24 7.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.581 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.651 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.27 65.34 7.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.58 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -40.94 120.53 1.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.553 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.518 ' O ' ' CZ ' ' A' ' 24' ' ' PHE . . . -62.84 -8.72 7.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.547 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.406 ' OD1' ' C ' ' A' ' 47' ' ' ASN . 47.5 p30 -100.44 26.7 6.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.556 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 t -145.09 124.23 12.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.518 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.5 m -63.98 -35.07 72.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.618 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 85.1 mt -61.96 -36.46 74.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.614 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.651 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -66.11 -42.43 89.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.545 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.424 HD22 ' HB1' ' A' ' 20' ' ' ALA . 43.4 tp -58.41 -38.48 77.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.547 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 7.2 mt -65.33 -36.76 85.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.546 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 22.8 mmt -67.77 -37.76 82.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.545 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.579 HD23 HD21 ' A' ' 38' ' ' ASN . 96.5 mt -62.52 -34.36 76.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.588 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -54.07 -34.2 59.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.567 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 84.7 p -77.49 -6.54 53.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.616 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -82.87 29.36 0.46 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.549 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -69.37 97.27 0.95 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.616 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.88 4.98 39.0 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.632 ' NH2' ' OE2' ' A' ' 40' ' ' GLU . 29.8 mtp180 -106.23 164.92 11.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.796 0.331 . . . . 0.0 110.602 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -98.7 143.67 28.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.62 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.5 pt -130.89 163.87 35.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.569 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -124.86 101.72 7.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.52 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 21.3 t -81.63 126.63 39.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.546 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -119.38 138.5 53.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.568 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.07 131.23 32.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.571 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.526 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 54.8 m -123.9 129.78 51.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.501 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.46 ' O ' ' HB3' ' A' ' 72' ' ' GLU . . . 141.67 162.18 9.06 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -47.91 -45.21 25.34 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.817 2.344 . . . . 0.0 112.08 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 74' ' ' GLU . 77.1 mt-30 -94.14 6.84 47.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.527 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.46 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 21.1 pt-20 -38.25 -35.8 0.19 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.53 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -64.59 -49.17 72.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.522 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 71' ' ' GLN . 75.5 tt0 -57.41 -52.36 65.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.52 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.677 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -54.43 -49.77 69.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.496 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.646 HD21 ' HB2' ' A' ' 5' ' ' GLN . 56.6 tp -64.27 -44.66 91.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.463 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.37 -42.44 99.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.445 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.19 -44.4 97.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.462 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 75' ' ' ALA . 51.3 t -66.02 -43.34 92.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.452 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 51.3 mt -64.07 -41.56 92.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.443 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.81 -36.71 84.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.486 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 65.0 mt -72.61 -39.75 67.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.448 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 83' ' ' PHE . 6.0 m-30 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.553 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.578 ' O ' HG13 ' A' ' 3' ' ' VAL . 8.9 p . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.812 0.339 . . . . 0.0 110.467 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.0 pttt -124.59 172.0 9.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.564 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.685 ' HB2' HD21 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -164.05 130.57 3.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.504 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.44 128.19 33.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.624 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.8 t -131.47 126.33 58.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.517 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.2 mp0 -69.71 136.64 51.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.571 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.843 HG21 ' O ' ' A' ' 58' ' ' ALA . 3.4 mm . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.585 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo . . . . . 0 N--CA 1.492 1.385 0 CA-C-O 120.804 0.252 . . . . 0.0 112.118 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.581 ' HB1' HD11 ' A' ' 52' ' ' LEU . . . -60.29 -43.97 95.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.617 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 57.8 mtt -67.67 -41.13 84.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.605 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -61.16 -37.89 84.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.516 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.442 HD21 ' CG2' ' A' ' 79' ' ' VAL . 1.5 mt -48.92 -45.79 42.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.562 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -57.21 -40.27 77.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.506 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -72.87 -34.91 67.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.543 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.512 ' HG ' ' CE1' ' A' ' 30' ' ' PHE . 0.9 OUTLIER -69.05 -41.46 77.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.503 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.481 ' SD ' ' O ' ' A' ' 32' ' ' ALA . 14.3 mmm -53.82 -33.29 55.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.504 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -79.47 -39.66 31.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.539 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.95 -41.58 87.49 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.588 ' CD2' ' N ' ' A' ' 30' ' ' PHE . 5.3 m-30 -95.62 166.15 11.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.792 0.33 . . . . 0.0 110.548 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.512 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 13.7 m-20 -108.13 92.63 4.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.547 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 172.53 153.34 0.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.619 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 68' ' ' THR . 84.0 tt0 -98.33 135.3 40.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.555 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 83.6 t -107.73 138.28 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.521 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.442 HD21 ' NE ' ' A' ' 37' ' ' ARG . 0.9 OUTLIER -137.18 129.16 29.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.589 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.646 ' CD2' HG13 ' A' ' 65' ' ' VAL . 20.4 mt -106.29 152.83 23.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.591 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.442 ' NE ' HD21 ' A' ' 35' ' ' LEU . 92.4 mtt180 -146.91 133.84 20.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.605 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.592 HD21 ' HB2' ' A' ' 58' ' ' ALA . 4.2 t-20 -89.27 152.88 21.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.48 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.426 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 32.8 p-10 -52.51 -30.58 31.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.625 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -70.9 -4.78 26.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.528 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.22 18.92 58.31 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.5 m -85.41 110.53 19.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 110.545 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -71.72 104.58 3.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.552 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.649 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -100.4 77.2 1.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.512 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.432 ' C ' ' H ' ' A' ' 47' ' ' ASN . 96.4 mt-10 -40.25 121.44 1.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.578 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.436 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . . . -66.58 3.78 0.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.558 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.432 ' H ' ' C ' ' A' ' 45' ' ' GLU . 76.9 m-20 -119.81 28.74 7.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.518 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.8 t -143.87 126.96 16.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.577 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.404 HG22 ' H ' ' A' ' 49' ' ' VAL . 3.2 m -65.46 -32.65 59.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.547 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 83.6 mt -62.67 -37.5 79.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.562 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.649 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -65.71 -42.19 91.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.512 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.581 HD11 ' HB1' ' A' ' 20' ' ' ALA . 4.3 tp -58.05 -38.44 76.3 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.563 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.6 mt -59.24 -39.7 83.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.568 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 56.7 mtt -67.75 -40.32 84.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.499 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.509 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 91.2 mt -61.73 -31.35 71.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.547 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -49.69 -39.26 36.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.618 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.495 ' C ' ' H ' ' A' ' 59' ' ' LYS . 90.8 p -74.21 -9.24 58.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.633 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.843 ' O ' HG21 ' A' ' 9' ' ' ILE . . . -74.52 29.29 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.527 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.495 ' H ' ' C ' ' A' ' 57' ' ' SER . 88.8 tttt -70.34 96.33 1.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.469 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 101.0 9.19 46.09 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.46 ' O ' ' HB ' ' A' ' 9' ' ' ILE . 18.1 mmt180 -104.38 171.89 7.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.784 0.326 . . . . 0.0 110.553 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -106.51 141.66 37.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.638 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.4 HG21 HD13 ' A' ' 63' ' ' ILE . 21.9 pt -131.54 164.28 34.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.54 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -124.02 103.05 8.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.563 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.646 HG13 ' CD2' ' A' ' 36' ' ' LEU . 21.4 t -84.04 131.96 32.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.592 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -127.05 140.13 52.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.593 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -135.28 135.34 40.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.568 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 33' ' ' GLU . 31.3 m -129.1 131.25 47.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.575 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.45 ' N ' ' HB3' ' A' ' 72' ' ' GLU . . . 140.61 165.89 10.48 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -47.61 -42.95 29.02 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.876 2.384 . . . . 0.0 112.104 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -102.24 23.85 11.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.595 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.45 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 18.2 pt-20 -52.68 -39.15 61.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.611 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -65.07 -48.2 74.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.613 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -56.48 -48.24 77.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.6 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.696 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -57.24 -46.51 82.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.575 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.685 HD21 ' HB2' ' A' ' 5' ' ' GLN . 44.7 tp -64.22 -44.77 90.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.526 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.93 -42.39 98.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.592 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.76 -43.18 99.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.616 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 75' ' ' ALA . 42.0 t -67.59 -44.76 86.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.561 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 45.0 mt -63.35 -41.35 92.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.505 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.88 -34.73 78.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.485 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -72.98 -39.33 66.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.506 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.552 179.947 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.775 ' O ' HD11 ' A' ' 76' ' ' LEU . 88.7 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.804 0.335 . . . . 0.0 110.506 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.535 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 8.6 pttm -120.87 162.36 19.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.633 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.535 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 60.2 mt-30 -157.1 127.72 6.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.493 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.77 127.57 32.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.543 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 69.7 t -131.68 133.22 61.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.55 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -74.73 138.18 42.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.577 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.885 HG21 ' O ' ' A' ' 58' ' ' ALA . 15.2 mm . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.567 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo . . . . . 0 N--CA 1.491 1.371 0 CA-C-O 120.837 0.265 . . . . 0.0 112.052 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.578 ' HB1' HD22 ' A' ' 52' ' ' LEU . . . -61.09 -49.1 78.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.53 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 59.2 mtt -64.09 -42.48 96.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.477 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -63.43 -37.21 86.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.494 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.612 HD21 ' CG2' ' A' ' 79' ' ' VAL . 2.6 mt -54.3 -44.34 71.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.42 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -55.72 -39.98 71.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.458 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -72.09 -35.76 69.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.455 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.525 HD22 ' CE1' ' A' ' 30' ' ' PHE . 65.3 mt -63.54 -43.35 97.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.549 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.416 ' O ' ' O ' ' A' ' 30' ' ' PHE . 82.6 mtp -57.39 -35.72 70.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.529 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -74.1 -42.14 60.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.501 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.53 -35.42 59.48 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.525 ' CE1' HD22 ' A' ' 26' ' ' LEU . 6.8 m-30 -99.7 154.54 18.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.775 0.321 . . . . 0.0 110.537 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.828 ' O ' ' HD2' ' A' ' 70' ' ' PRO . 82.3 m-20 -100.24 92.59 5.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.569 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.713 ' HB1' ' O ' ' A' ' 68' ' ' THR . . . 171.75 151.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.565 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 67' ' ' ALA . 67.6 tt0 -96.29 133.59 40.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.595 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.462 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 61.4 t -108.54 144.64 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.59 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.405 ' CD2' ' NH1' ' A' ' 37' ' ' ARG . 2.1 tt -145.93 130.71 18.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.63 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.59 HD23 HG22 ' A' ' 65' ' ' VAL . 1.4 mp -115.15 154.26 29.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.5 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.405 ' NH1' ' CD2' ' A' ' 35' ' ' LEU . 11.3 ptp85 -157.84 145.72 18.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.566 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.463 HD21 HD23 ' A' ' 55' ' ' LEU . 74.6 m-20 -92.15 157.75 16.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.55 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' A' ' 40' ' ' GLU . 52.1 p-10 -60.25 -23.9 64.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.593 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.474 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 98.2 mt-10 -67.19 -20.15 65.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.585 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.16 7.08 29.15 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.8 m -84.03 112.42 20.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.743 0.306 . . . . 0.0 110.5 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -84.03 107.57 16.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.537 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.678 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -95.15 72.96 3.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.59 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.492 ' C ' ' H ' ' A' ' 47' ' ' ASN . 94.6 mt-10 -37.14 121.03 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.585 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 34' ' ' VAL . . . -60.35 -1.12 0.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.519 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.492 ' H ' ' C ' ' A' ' 45' ' ' GLU . 50.5 t30 -121.76 46.18 2.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.583 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.5 t -156.41 126.39 6.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.564 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 35.9 m -66.35 -36.85 78.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.625 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 83.8 mt -61.39 -34.94 63.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.537 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.678 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -66.72 -39.66 88.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.581 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.578 HD22 ' HB1' ' A' ' 20' ' ' ALA . 49.4 tp -59.48 -40.37 86.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.549 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.6 mt -64.29 -37.44 87.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.542 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 23.0 mmt -66.36 -37.9 86.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.543 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.488 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 96.1 mt -63.6 -23.84 67.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.491 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -55.31 -38.11 68.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.584 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 75.6 m -77.99 0.62 23.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.598 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.885 ' O ' HG21 ' A' ' 9' ' ' ILE . . . -88.08 31.03 0.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.564 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.5 pttm -75.22 95.77 3.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.539 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 104.96 6.1 40.34 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 59.7 mtp85 -104.22 161.04 14.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.75 0.31 . . . . 0.0 110.572 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -94.96 144.04 25.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.564 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.408 ' CD1' HD11 ' A' ' 9' ' ' ILE . 46.7 pt -132.08 165.19 32.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.524 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -125.24 102.56 7.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.568 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.59 HG22 HD23 ' A' ' 36' ' ' LEU . 6.3 t -83.2 132.15 32.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.549 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -127.76 139.85 52.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.578 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.404 ' HA ' ' O ' ' A' ' 33' ' ' GLU . . . -138.94 140.58 38.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.589 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.713 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 51.4 m -129.66 140.13 51.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.586 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 132.73 -178.95 17.72 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.828 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 48.2 Cg_endo -72.62 -25.89 17.02 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.836 2.357 . . . . 0.0 112.088 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -112.66 15.42 19.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.506 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.449 ' OE1' HG23 ' A' ' 3' ' ' VAL . 12.7 pt-20 -51.8 -42.65 62.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.606 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -58.3 -47.46 83.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.554 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -56.48 -51.32 68.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.53 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.456 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -50.75 -47.66 59.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.572 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.775 HD11 ' O ' ' A' ' 3' ' ' VAL . 92.0 mt -65.56 -41.11 93.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.591 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.84 -43.31 94.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.572 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.52 -43.29 97.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.566 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.612 ' CG2' HD21 ' A' ' 23' ' ' LEU . 65.7 t -68.78 -44.98 81.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.534 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 47.1 mt -64.96 -40.52 89.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.453 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.85 -34.9 78.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.537 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.7 mt -72.85 -37.64 67.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.5 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.536 ' CD1' ' N ' ' A' ' 83' ' ' PHE . 7.3 m-30 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.52 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' ' 67' ' ' ALA . 24.8 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.721 0.296 . . . . 0.0 110.517 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.2 mttp -120.37 143.29 48.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.708 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.483 ' OE1' HD23 ' A' ' 76' ' ' LEU . 68.2 mt-30 -145.3 135.12 23.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.533 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.03 126.47 39.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.565 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.4 p -130.07 136.33 59.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.58 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -75.89 129.91 37.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.542 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.598 HG21 ' O ' ' A' ' 58' ' ' ALA . 4.2 mm . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.57 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo . . . . . 0 N--CA 1.491 1.325 0 CA-C-O 120.83 0.262 . . . . 0.0 112.096 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.461 ' HB1' HD22 ' A' ' 52' ' ' LEU . . . -61.19 -40.81 95.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.574 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 56.0 mtt -68.57 -42.53 78.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.562 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -59.21 -40.24 85.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.549 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.444 HD21 ' CG2' ' A' ' 79' ' ' VAL . 3.7 mt -47.58 -43.14 25.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.501 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.529 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 10.1 m-85 -57.51 -42.7 83.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.503 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -72.06 -35.6 69.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.441 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.29 -40.76 77.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.514 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.483 ' SD ' ' O ' ' A' ' 32' ' ' ALA . 13.0 mmm -53.91 -37.03 63.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.501 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -72.75 -39.07 67.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.522 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.55 -35.31 32.99 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.507 ' CD2' ' N ' ' A' ' 30' ' ' PHE . 9.0 m-30 -95.72 136.23 36.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.725 0.297 . . . . 0.0 110.574 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.857 ' O ' ' HD2' ' A' ' 70' ' ' PRO . 83.3 m-20 -88.87 94.33 9.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.636 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.649 ' HB1' ' O ' ' A' ' 68' ' ' THR . . . 170.75 152.57 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.6 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' ' 67' ' ' ALA . 40.3 tp10 -95.39 129.83 42.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.582 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.8 m -106.25 144.83 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.592 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.2 tt -147.07 133.6 19.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.551 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.623 HD23 HG22 ' A' ' 65' ' ' VAL . 9.6 mt -106.95 152.25 24.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.574 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 43.7 mtp85 -146.79 132.02 18.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.569 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.497 ' HA ' HG22 ' A' ' 63' ' ' ILE . 7.4 t-20 -86.16 157.55 19.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.516 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -50.22 -37.09 33.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.593 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -68.07 0.47 3.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.565 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.57 22.33 62.42 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.1 m -87.6 111.67 21.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.883 0.373 . . . . 0.0 110.55 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -71.88 104.89 3.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.609 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.636 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -94.41 68.79 3.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.468 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -44.95 120.48 2.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.539 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.529 ' O ' ' CZ ' ' A' ' 24' ' ' PHE . . . -62.47 -38.17 88.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.562 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.44 ' CG ' ' O ' ' A' ' 47' ' ' ASN . 14.4 t-20 -64.34 1.12 0.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.543 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.456 ' H ' ' C ' ' A' ' 46' ' ' ALA . 11.2 t -122.39 120.76 34.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.561 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.453 HG22 ' H ' ' A' ' 49' ' ' VAL . 3.9 m -65.06 -30.94 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.536 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 79.0 mt -61.6 -36.05 70.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.644 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.636 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -68.2 -40.81 82.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.517 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 52' ' ' LEU . 80.1 mt -58.26 -39.88 80.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.536 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 68.5 tp -66.65 -35.85 81.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.587 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 15.0 tpt -66.66 -35.64 80.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.561 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.474 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 96.1 mt -65.87 -24.0 66.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.515 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -50.8 -37.07 40.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.509 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.407 ' C ' ' H ' ' A' ' 59' ' ' LYS . 96.8 p -77.84 -7.72 57.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.548 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.598 ' O ' HG21 ' A' ' 9' ' ' ILE . . . -79.88 29.68 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.554 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.407 ' H ' ' C ' ' A' ' 57' ' ' SER . 30.2 ttpt -74.21 97.83 3.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.583 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 104.15 8.81 38.06 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 54.3 mtt85 -106.21 170.76 7.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.764 0.316 . . . . 0.0 110.58 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -105.2 139.46 39.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.557 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.497 HG22 ' HA ' ' A' ' 38' ' ' ASN . 31.0 pt -127.94 163.38 31.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.554 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -121.35 107.13 12.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.625 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.623 HG22 HD23 ' A' ' 36' ' ' LEU . 21.8 t -87.0 123.46 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.556 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -121.07 137.5 54.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.59 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.495 ' CB ' HD13 ' A' ' 76' ' ' LEU . . . -139.45 138.19 36.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.576 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.649 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 23.1 m -126.46 138.41 53.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.569 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.431 ' O ' ' OE2' ' A' ' 72' ' ' GLU . . . 136.66 -177.9 19.3 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.857 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 48.0 Cg_endo -72.36 -29.48 13.82 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.88 2.386 . . . . 0.0 112.097 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.477 ' OE1' ' N ' ' A' ' 31' ' ' ASP . 81.8 mt-30 -107.84 10.4 28.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.491 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.431 ' OE2' ' O ' ' A' ' 69' ' ' GLY . 13.1 pt-20 -47.44 -44.4 24.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.54 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.446 ' HG3' ' H ' ' A' ' 74' ' ' GLU . 3.1 pt-20 -58.79 -44.0 90.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.538 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.446 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 87.0 mt-10 -58.91 -47.66 84.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.573 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.629 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -54.56 -45.99 73.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.546 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.495 HD13 ' CB ' ' A' ' 67' ' ' ALA . 3.4 mp -65.16 -43.56 91.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.527 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.77 -44.08 97.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.516 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.85 -43.41 96.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.503 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 75' ' ' ALA . 59.3 t -69.32 -44.21 80.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.47 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 51.8 mt -62.53 -42.22 95.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.45 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.68 -34.99 78.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.471 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.4 ' HA ' HD22 ' A' ' 82' ' ' LEU . 2.0 mm? -73.11 -40.53 64.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.513 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.453 ' N ' ' HD1' ' A' ' 83' ' ' PHE . 3.0 m-85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.542 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.497 ' O ' ' CD1' ' A' ' 76' ' ' LEU . 99.3 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.754 0.311 . . . . 0.0 110.602 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.675 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 1.4 pttm -117.61 169.44 9.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.61 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.675 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 57.0 mt-30 -163.22 130.09 3.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.509 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.71 125.3 29.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.613 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 94.0 t -128.77 125.8 63.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.557 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -72.55 133.88 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.602 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.773 HG21 ' O ' ' A' ' 58' ' ' ALA . 4.0 mm . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.583 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo . . . . . 0 N--CA 1.491 1.357 0 CA-C-O 120.78 0.242 . . . . 0.0 112.123 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.574 ' HB1' HD21 ' A' ' 52' ' ' LEU . . . -61.75 -48.68 79.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.462 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 17.0 mmt -64.49 -40.56 95.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.536 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -65.96 -35.73 81.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.513 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.505 HD21 ' CG2' ' A' ' 79' ' ' VAL . 2.1 mt -49.79 -45.94 50.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.552 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.51 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 10.7 m-85 -54.35 -38.41 66.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.49 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -74.36 -34.9 63.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.569 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.515 HD22 ' CE1' ' A' ' 30' ' ' PHE . 69.3 mt -64.39 -44.0 92.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.506 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 74.3 mtp -56.51 -33.5 66.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.531 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -78.36 -43.09 28.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.553 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.31 -39.69 81.39 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.574 ' CD2' ' N ' ' A' ' 30' ' ' PHE . 5.0 m-30 -97.7 165.87 11.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.816 0.341 . . . . 0.0 110.602 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.548 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 89.0 m-20 -108.57 94.79 5.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.545 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.548 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 169.96 153.26 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.559 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 68' ' ' THR . 86.2 tt0 -97.57 130.99 44.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.643 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 83.7 t -107.75 137.8 37.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.48 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.522 HD21 ' HE ' ' A' ' 37' ' ' ARG . 1.4 tt -138.77 132.6 30.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.65 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.518 HD11 ' HB2' ' A' ' 46' ' ' ALA . 1.6 mp -106.99 154.05 21.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.561 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.522 ' HE ' HD21 ' A' ' 35' ' ' LEU . 99.7 mtt180 -143.18 135.11 26.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.62 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.465 HD21 ' HB2' ' A' ' 58' ' ' ALA . 7.2 t-20 -90.91 149.38 21.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.572 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.85 -30.82 10.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.502 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -70.72 -8.1 49.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.537 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.79 11.09 59.46 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.9 m -81.27 113.12 19.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.822 0.344 . . . . 0.0 110.516 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -73.35 102.76 3.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.574 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.679 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -91.3 62.88 4.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.587 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.507 ' C ' ' H ' ' A' ' 47' ' ' ASN . 37.6 mt-10 -40.24 120.21 1.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.604 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.518 ' HB2' HD11 ' A' ' 36' ' ' LEU . . . -58.98 -1.81 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.547 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.507 ' H ' ' C ' ' A' ' 45' ' ' GLU . 36.3 p30 -111.19 41.47 1.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.577 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.26 126.61 5.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.566 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.412 HG22 ' H ' ' A' ' 49' ' ' VAL . 3.4 m -65.76 -35.11 74.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.625 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.424 ' O ' ' SD ' ' A' ' 54' ' ' MET . 84.2 mt -64.08 -34.8 71.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.608 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.679 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -65.54 -45.32 83.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.539 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.574 HD21 ' HB1' ' A' ' 20' ' ' ALA . 4.4 mp -58.89 -36.52 74.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.555 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.3 mt -68.45 -35.92 78.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.571 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.424 ' SD ' ' O ' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -66.17 -37.75 86.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.517 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.477 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 96.8 mt -64.77 -23.36 67.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.555 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 56' ' ' ASP . 65.3 t0 -54.36 -36.69 64.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.611 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.5 m -78.67 1.71 21.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.51 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.773 ' O ' HG21 ' A' ' 9' ' ' ILE . . . -89.32 30.19 1.01 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.662 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -72.33 96.68 1.9 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.6 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 103.33 8.33 41.27 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.426 ' O ' ' HB ' ' A' ' 9' ' ' ILE . 27.2 mmm-85 -104.94 177.09 4.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.817 0.342 . . . . 0.0 110.584 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 26.7 pt20 -110.89 146.28 36.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.553 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.403 HG21 HD13 ' A' ' 63' ' ' ILE . 23.4 pt -134.12 160.68 41.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.552 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -120.21 100.2 7.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.625 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 38.3 t -81.79 128.3 38.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.589 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -121.24 136.74 54.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.535 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' A' ' 33' ' ' GLU . . . -134.89 133.08 39.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.556 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 33' ' ' GLU . 32.2 m -128.64 130.12 46.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.556 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.451 ' N ' ' HB3' ' A' ' 72' ' ' GLU . . . 141.71 167.18 11.14 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -47.64 -43.35 28.42 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.828 2.352 . . . . 0.0 112.153 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -102.37 24.71 9.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.58 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.451 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 18.9 pt-20 -53.03 -40.77 64.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.549 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.401 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 87.0 mt-10 -65.64 -46.48 79.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.604 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -56.63 -49.41 75.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.541 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.559 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -54.99 -46.69 75.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.582 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.497 ' CD1' ' O ' ' A' ' 3' ' ' VAL . 1.7 mt -65.35 -43.27 91.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.571 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.08 -43.12 95.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.533 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.78 -43.57 98.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.579 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 75' ' ' ALA . 58.2 t -67.98 -44.09 85.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.501 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 55.5 mt -64.48 -42.01 93.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.529 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.6 -34.95 78.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.491 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.3 mt -74.06 -38.62 63.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.532 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.531 179.935 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 74.4 t . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.835 0.35 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 51.2 pttt -126.02 175.32 7.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.675 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -169.13 135.27 1.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.437 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.03 130.27 35.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.611 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 74.4 t -134.36 129.01 52.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.574 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -70.51 128.03 34.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.556 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.4 ' HB ' ' O ' ' A' ' 61' ' ' ARG . 5.8 mm . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.639 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.469 ' HA ' HD13 ' A' ' 82' ' ' LEU . 53.5 Cg_exo . . . . . 0 N--CA 1.491 1.337 0 CA-C-O 120.802 0.251 . . . . 0.0 112.023 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.665 ' HB1' HD22 ' A' ' 52' ' ' LEU . . . -61.01 -47.07 88.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.476 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 57.2 mtt -63.78 -40.26 96.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.537 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -63.44 -37.38 87.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.592 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.563 HD22 HG21 ' A' ' 34' ' ' VAL . 1.8 mt -48.39 -42.68 32.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.533 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.459 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 19.9 m-85 -58.49 -41.9 86.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.466 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -69.65 -37.2 76.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.53 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.976 HD12 ' CE1' ' A' ' 30' ' ' PHE . 4.1 mm? -66.59 -39.58 88.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.503 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.466 ' SD ' ' O ' ' A' ' 32' ' ' ALA . 0.4 OUTLIER -51.46 -33.51 31.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.539 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -80.17 -41.29 25.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.566 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.72 -39.01 90.3 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.976 ' CE1' HD12 ' A' ' 26' ' ' LEU . 9.5 m-30 -100.88 154.92 18.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.767 0.318 . . . . 0.0 110.578 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.498 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 88.8 m-20 -101.26 92.48 4.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.546 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.498 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 172.99 155.16 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.589 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -99.76 133.9 43.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.571 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.563 HG21 HD22 ' A' ' 23' ' ' LEU . 26.9 m -111.67 145.09 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.578 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.7 tt -144.41 138.19 27.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.571 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.653 HD23 HG22 ' A' ' 65' ' ' VAL . 13.1 mt -109.15 146.89 33.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.579 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -145.99 134.2 21.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.568 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -86.33 153.61 21.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.541 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -53.3 -31.55 44.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.58 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -67.74 -5.16 14.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.524 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.13 20.66 48.65 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.2 m -88.51 112.62 23.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.802 0.334 . . . . 0.0 110.55 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.476 ' OE1' ' N ' ' A' ' 43' ' ' GLU . 58.4 mp0 -77.32 105.26 8.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.556 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.574 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -99.98 76.58 1.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.552 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -42.24 121.41 1.88 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.563 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.459 ' O ' ' CZ ' ' A' ' 24' ' ' PHE . . . -69.79 0.72 5.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.503 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.521 ' OD1' ' O ' ' A' ' 47' ' ' ASN . 0.4 OUTLIER -106.9 14.44 26.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.583 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 55.0 m -135.07 129.78 34.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.554 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.434 HG22 ' H ' ' A' ' 49' ' ' VAL . 4.4 m -64.6 -31.89 55.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.611 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 90.0 mt -61.56 -38.08 79.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.536 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.574 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -67.74 -39.65 84.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.575 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.665 HD22 ' HB1' ' A' ' 20' ' ' ALA . 87.7 mt -59.08 -39.96 83.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.616 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 53' ' ' LEU . 6.0 mt -70.03 -34.11 72.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.526 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.3 ttm -66.21 -40.48 90.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.538 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.47 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 95.2 mt -64.51 -23.83 67.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.58 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -55.27 -38.53 68.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.605 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 61.4 m -72.69 -8.1 53.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.575 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -84.47 10.53 10.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.578 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.431 ' CG ' ' O ' ' A' ' 59' ' ' LYS . 12.0 ptmt -53.37 101.51 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.606 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 104.63 1.3 43.22 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.4 ' O ' ' HB ' ' A' ' 9' ' ' ILE . 74.7 mtt180 -101.6 173.26 6.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.813 0.34 . . . . 0.0 110.63 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -100.73 144.22 29.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.589 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 33.3 pt -133.67 161.76 40.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.657 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -122.39 104.75 9.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.592 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.653 HG22 HD23 ' A' ' 36' ' ' LEU . 39.7 t -84.28 126.85 40.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.568 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -120.37 138.89 53.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.559 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.81 131.45 31.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.531 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 47.6 m -126.26 131.29 51.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.574 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.431 ' N ' ' HB3' ' A' ' 72' ' ' GLU . . . 140.24 165.0 10.12 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -47.85 -41.17 32.28 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.809 2.34 . . . . 0.0 112.117 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -101.49 19.62 17.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.598 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.431 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 23.2 pt-20 -48.89 -39.87 27.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.54 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.411 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 91.4 mt-10 -64.71 -48.5 74.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.541 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.4 tp10 -54.11 -50.41 66.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.597 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.531 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -54.74 -47.52 73.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.523 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.7 tp -62.05 -43.85 97.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.557 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.27 -42.61 98.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.486 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.09 -44.09 97.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.518 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 75' ' ' ALA . 61.3 t -67.37 -43.94 87.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.466 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 54.0 mt -64.9 -39.37 85.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.489 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.28 -36.99 85.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.52 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.469 HD13 ' HA ' ' A' ' 19' ' ' PRO . 55.3 mt -69.82 -40.85 75.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.537 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.564 ' CD1' ' N ' ' A' ' 83' ' ' PHE . 6.3 m-30 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.48 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.507 HG12 ' CD2' ' A' ' 76' ' ' LEU . 47.3 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.803 0.335 . . . . 0.0 110.475 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt -115.93 151.08 36.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.586 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.501 ' HB2' HD21 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -153.45 133.13 13.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.519 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.64 127.72 35.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.614 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 86.3 t -129.71 133.11 65.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.492 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -83.62 125.08 31.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.655 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.471 HD12 ' HB1' ' A' ' 58' ' ' ALA . 20.9 mt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.491 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo . . . . . 0 N--CA 1.492 1.419 0 CA-C-O 120.77 0.238 . . . . 0.0 112.061 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 1.009 ' HB1' HD21 ' A' ' 52' ' ' LEU . . . -61.3 -44.01 97.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.514 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 64.4 mtt -68.89 -43.01 76.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.525 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -60.31 -37.13 79.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.579 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.628 HD21 ' CG2' ' A' ' 79' ' ' VAL . 3.3 mt -50.55 -45.67 57.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.544 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.461 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 8.2 m-85 -54.85 -39.08 68.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.566 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -76.14 -35.97 58.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.539 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.562 ' O ' ' N ' ' A' ' 30' ' ' PHE . 89.5 mt -64.73 -43.05 94.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.547 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 87.5 mtp -59.61 -37.33 78.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.63 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 29.8 tp60 -57.33 -41.7 80.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.544 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -97.07 -19.3 26.68 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.608 ' HA ' ' NE2' ' A' ' 71' ' ' GLN . 7.3 m-85 -95.12 121.5 36.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.749 0.309 . . . . 0.0 110.591 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.662 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 98.4 m-20 -79.09 94.79 5.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.572 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.662 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 163.03 155.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.569 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -102.97 128.14 49.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.548 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 70.3 t -106.98 138.18 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.484 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.7 tt -136.45 136.83 39.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.688 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.405 HD11 ' HB2' ' A' ' 46' ' ' ALA . 1.2 mp -108.72 145.17 35.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.563 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.618 HH11 ' CG ' ' A' ' 43' ' ' GLU . 19.4 ttm180 -142.42 134.16 26.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.572 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.429 ' HA ' HG22 ' A' ' 63' ' ' ILE . 97.5 m-20 -87.41 155.52 19.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.518 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 40' ' ' GLU . 46.5 p-10 -56.57 -26.41 55.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.603 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.444 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 99.3 mt-10 -69.35 -22.59 63.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.56 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.13 4.66 31.0 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 m -80.62 111.42 17.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.816 0.341 . . . . 0.0 110.626 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.618 ' CG ' HH11 ' A' ' 37' ' ' ARG . 99.7 mt-10 -70.98 100.48 1.99 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.62 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.767 ' HA ' ' HB1' ' A' ' 51' ' ' ALA . . . -84.31 47.33 1.32 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.561 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -39.52 119.91 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.664 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.486 ' C ' ' H ' ' A' ' 48' ' ' SER . . . -55.3 -33.4 63.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.623 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.538 ' CG ' ' O ' ' A' ' 47' ' ' ASN . 0.7 OUTLIER -74.53 33.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.594 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.486 ' H ' ' C ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -155.27 125.77 6.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.578 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.458 HG23 ' N ' ' A' ' 50' ' ' ILE . 32.8 m -68.07 -38.87 80.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.617 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.458 ' N ' HG23 ' A' ' 49' ' ' VAL . 82.3 mt -60.43 -33.32 53.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.561 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.767 ' HB1' ' HA ' ' A' ' 44' ' ' ALA . . . -65.65 -42.37 91.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.632 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 1.009 HD21 ' HB1' ' A' ' 20' ' ' ALA . 6.7 mt -59.7 -37.65 79.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.628 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.405 ' O ' ' HB2' ' A' ' 56' ' ' ASP . 65.4 tp -64.4 -36.21 83.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.58 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 21.3 mmt -67.66 -35.81 79.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.512 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.524 HD21 ' CB ' ' A' ' 44' ' ' ALA . 94.4 mt -60.88 -24.04 65.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.594 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 53' ' ' LEU . 96.1 m-20 -56.42 -35.78 68.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.582 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 89.6 p -84.95 2.44 42.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.544 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.471 ' HB1' HD12 ' A' ' 9' ' ' ILE . . . -87.48 24.32 1.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.619 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -75.03 99.21 3.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.542 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.39 0.04 40.43 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 88.2 mtt-85 -102.47 165.7 10.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.779 0.324 . . . . 0.0 110.545 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -100.17 141.86 32.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.516 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.429 HG22 ' HA ' ' A' ' 38' ' ' ASN . 43.5 pt -127.17 159.39 37.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.618 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -116.97 107.79 14.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.583 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.5 t -88.29 117.39 31.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.621 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -113.97 135.6 53.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.64 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.43 ' O ' ' HB2' ' A' ' 72' ' ' GLU . . . -134.5 129.12 34.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.588 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 65.9 m -123.12 130.28 52.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.572 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.52 ' O ' ' HB3' ' A' ' 72' ' ' GLU . . . 139.93 165.09 10.15 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -46.93 -45.72 20.19 Favored 'Trans proline' 0 C--N 1.303 -1.832 0 C-N-CA 122.874 2.383 . . . . 0.0 112.139 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.608 ' NE2' ' HA ' ' A' ' 30' ' ' PHE . 34.4 mt-30 -90.77 5.13 49.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.638 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.52 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 21.3 pt-20 -39.79 -40.21 0.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.603 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.427 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 94.6 mt-10 -65.64 -49.1 69.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.597 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -63.86 -50.14 69.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.528 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.96 -47.69 74.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.559 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.507 ' CD2' HG12 ' A' ' 3' ' ' VAL . 58.4 tp -63.62 -42.59 98.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.554 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.14 -41.41 96.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.553 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.87 -46.3 88.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.639 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.628 ' CG2' HD21 ' A' ' 23' ' ' LEU . 96.2 t -65.11 -42.6 94.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.572 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 50.7 mt -66.73 -39.33 83.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.576 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.5 -36.74 83.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.619 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.6 mt -69.79 -41.1 75.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.535 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.58 ' CD1' ' N ' ' A' ' 83' ' ' PHE . 6.8 m-30 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.6 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 78.9 t . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.747 0.308 . . . . 0.0 110.554 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.557 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 47.4 pttt -123.39 170.56 10.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.683 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.557 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 50.5 mt-30 -157.98 133.43 8.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.476 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.6 127.04 33.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.621 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 53.5 t -130.35 125.97 60.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.506 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -71.29 133.8 46.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.651 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.424 ' HB ' ' O ' ' A' ' 61' ' ' ARG . 12.8 mm . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.599 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo . . . . . 0 N--CA 1.491 1.362 0 CA-C-O 120.746 0.227 . . . . 0.0 112.098 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.776 ' HB1' HD21 ' A' ' 52' ' ' LEU . . . -51.97 -55.44 20.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.544 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 39.0 mmm -58.6 -47.12 85.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.509 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.496 ' NZ ' HD13 ' A' ' 26' ' ' LEU . 64.8 tttm -61.23 -37.81 84.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.6 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.574 HD21 ' CG2' ' A' ' 79' ' ' VAL . 3.6 mt -49.66 -50.04 44.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.578 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.552 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 5.8 m-85 -49.81 -42.82 47.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.593 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -78.21 -34.25 49.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.491 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.496 HD13 ' NZ ' ' A' ' 22' ' ' LYS . 4.6 tp -63.87 -45.57 88.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.546 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 43.5 mtm -61.31 -35.68 78.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.519 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -58.06 -41.66 83.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.546 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.71 -21.99 27.28 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.551 ' HA ' ' NE2' ' A' ' 71' ' ' GLN . 3.2 m-85 -91.27 125.25 35.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.822 0.344 . . . . 0.0 110.563 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.696 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 93.5 m-20 -78.29 96.31 5.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.519 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.696 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 158.86 152.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.573 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 67' ' ' ALA . 87.0 tt0 -100.71 130.16 46.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.678 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 92.8 t -105.98 137.22 37.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.535 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.5 tt -136.73 134.6 37.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.605 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.411 ' HB2' ' HB3' ' A' ' 44' ' ' ALA . 1.0 OUTLIER -105.19 151.39 24.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.492 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.5 mtt180 -148.0 134.25 19.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.565 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.629 HD21 HD23 ' A' ' 55' ' ' LEU . 92.5 m-20 -92.78 157.46 16.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.553 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.406 ' O ' ' OD1' ' A' ' 39' ' ' ASP . 65.5 t0 -52.89 -31.41 39.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.586 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -67.18 -11.31 57.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.621 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.28 15.57 55.31 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 m -85.08 113.48 21.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.738 0.304 . . . . 0.0 110.579 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -72.06 100.86 2.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.534 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.636 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -86.73 58.35 5.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.594 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -41.29 119.93 1.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.58 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.552 ' O ' ' CZ ' ' A' ' 24' ' ' PHE . . . -59.64 -31.22 69.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.551 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 56.9 p30 -76.7 28.6 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.534 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.463 ' H ' ' C ' ' A' ' 46' ' ' ALA . 7.3 t -148.66 123.2 9.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.606 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.468 HG22 ' H ' ' A' ' 49' ' ' VAL . 3.7 m -65.8 -33.44 63.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.559 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 85.4 mt -60.71 -35.92 67.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.599 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.636 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -66.87 -45.46 78.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.529 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.776 HD21 ' HB1' ' A' ' 20' ' ' ALA . 2.5 mp -54.95 -36.53 65.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.583 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.9 mt -70.09 -35.99 74.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.583 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 21.4 mmt -68.34 -35.64 78.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.599 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.629 HD23 HD21 ' A' ' 38' ' ' ASN . 97.4 mt -62.39 -32.66 73.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.578 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -52.37 -30.37 28.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.553 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 84.9 p -82.35 -5.63 58.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.612 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.77 29.29 0.54 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.565 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -71.99 97.06 1.8 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.635 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.62 4.28 40.01 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.424 ' O ' ' HB ' ' A' ' 9' ' ' ILE . 92.4 mtt-85 -106.08 159.55 15.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.759 0.314 . . . . 0.0 110.609 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -93.31 143.95 25.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.583 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 33.7 pt -129.6 160.03 41.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.607 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -122.14 98.59 6.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.541 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 40.8 t -80.35 126.2 39.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.541 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -119.2 138.62 52.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.601 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.431 ' O ' ' HB2' ' A' ' 72' ' ' GLU . . . -137.02 131.53 32.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.597 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 60.2 m -124.96 129.93 51.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.547 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.484 ' O ' ' HB3' ' A' ' 72' ' ' GLU . . . 138.66 165.5 10.3 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -47.01 -43.13 25.17 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.815 2.344 . . . . 0.0 112.143 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.551 ' NE2' ' HA ' ' A' ' 30' ' ' PHE . 33.9 mt-30 -95.0 12.92 26.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.557 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.484 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 22.2 pt-20 -46.76 -44.07 18.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.606 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.476 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 38.3 mt-10 -66.77 -45.29 78.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.594 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -61.13 -49.01 79.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.599 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.07 -46.5 68.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.564 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.464 HD11 ' HA ' ' A' ' 4' ' ' LYS . 1.5 mt -66.77 -41.86 87.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.526 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.27 -44.18 97.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.528 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.17 -44.36 97.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.5 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.574 ' CG2' HD21 ' A' ' 23' ' ' LEU . 83.9 t -68.88 -41.94 82.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.608 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 44.5 mt -64.9 -42.67 95.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.574 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.74 -34.5 75.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.604 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.9 mt -74.86 -37.63 62.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.573 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.613 179.941 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.546 ' O ' HD12 ' A' ' 76' ' ' LEU . 96.7 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.744 0.306 . . . . 0.0 110.558 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.58 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 48.5 pttt -119.73 166.65 12.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.619 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.58 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 50.3 mt-30 -159.48 131.88 6.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.505 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.79 128.18 33.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.669 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 97.3 t -130.79 131.21 64.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.495 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -78.61 135.24 37.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.685 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.0 mm . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.478 179.967 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo . . . . . 0 N--CA 1.491 1.325 0 CA-C-O 120.803 0.251 . . . . 0.0 112.108 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.464 ' HB1' HD22 ' A' ' 52' ' ' LEU . . . -61.7 -42.88 99.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.481 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 12.0 mmt -65.05 -43.96 90.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.503 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -62.28 -38.4 89.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.573 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.515 HD21 ' CG2' ' A' ' 79' ' ' VAL . 3.4 mt -47.43 -44.9 25.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.538 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -52.73 -38.48 60.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.572 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -75.15 -31.41 61.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.48 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.689 HD22 ' CE1' ' A' ' 30' ' ' PHE . 68.7 mt -65.07 -44.17 89.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.553 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.422 ' SD ' ' O ' ' A' ' 32' ' ' ALA . 36.0 mmm -52.3 -30.79 29.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.576 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -81.19 -42.46 20.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.544 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.23 -40.32 55.97 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.689 ' CE1' HD22 ' A' ' 26' ' ' LEU . 3.5 m-30 -100.48 150.78 22.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.793 0.33 . . . . 0.0 110.595 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.528 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 11.7 m-20 -99.95 95.15 6.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.621 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.528 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 171.36 150.32 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.517 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 68' ' ' THR . 86.1 tt0 -94.97 139.17 31.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.596 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.9 m -114.97 146.37 19.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.499 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 tt -143.1 137.67 29.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.667 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.67 HD23 HG22 ' A' ' 65' ' ' VAL . 20.4 mt -110.7 150.14 29.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.533 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -151.15 132.93 14.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.559 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.567 HD21 HD23 ' A' ' 55' ' ' LEU . 96.4 m-20 -87.13 156.93 19.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.555 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 40' ' ' GLU . 48.1 p-10 -53.41 -23.43 9.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.6 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.434 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 99.4 mt-10 -72.55 -6.13 41.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.578 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.53 20.01 59.18 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 m -89.38 116.43 27.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.338 . . . . 0.0 110.562 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -82.57 104.89 13.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.63 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 1.013 ' HB1' ' HB1' ' A' ' 51' ' ' ALA . . . -102.79 96.36 6.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.612 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 97.4 mt-10 -43.09 121.82 2.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.518 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.65 -3.26 20.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.537 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -110.74 22.59 15.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.592 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 39.5 t -137.69 134.18 35.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.57 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.95 -30.95 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.53 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 84.0 mt -61.47 -39.18 82.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.613 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 1.013 ' HB1' ' HB1' ' A' ' 44' ' ' ALA . . . -69.08 -40.06 78.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.636 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.464 HD22 ' HB1' ' A' ' 20' ' ' ALA . 92.1 mt -60.68 -40.08 90.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.525 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.0 mt -63.82 -38.91 92.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.629 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 97.7 mtp -70.04 -39.05 75.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.553 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.567 HD23 HD21 ' A' ' 38' ' ' ASN . 91.5 mt -64.13 -30.2 71.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.538 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -54.0 -35.86 62.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.562 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.412 ' C ' ' H ' ' A' ' 59' ' ' LYS . 75.6 m -73.61 -4.59 35.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.585 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -79.44 29.41 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.563 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.412 ' H ' ' C ' ' A' ' 57' ' ' SER . 13.4 pttp -70.06 98.3 1.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.543 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 104.21 6.94 41.5 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -110.71 157.15 20.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.756 0.313 . . . . 0.0 110.561 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -92.27 143.85 25.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.578 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 28.2 pt -130.8 162.49 38.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.542 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -122.55 105.39 10.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.613 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.67 HG22 HD23 ' A' ' 36' ' ' LEU . 48.9 t -85.74 130.2 36.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.592 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -123.27 139.49 53.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.614 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.35 138.09 37.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.492 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.45 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 32.5 m -133.74 130.74 38.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.483 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.491 ' N ' ' HB3' ' A' ' 72' ' ' GLU . . . 142.97 165.37 10.61 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -47.64 -42.23 29.85 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.792 2.328 . . . . 0.0 112.081 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -107.8 29.5 7.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.56 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.491 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 17.0 pt-20 -58.14 -37.89 75.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.586 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -63.33 -47.92 80.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.558 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -55.64 -48.22 75.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.583 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.6 -48.39 72.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.582 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.546 HD12 ' O ' ' A' ' 3' ' ' VAL . 0.9 OUTLIER -65.88 -41.68 91.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.557 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.68 -43.76 93.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.559 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.25 -43.87 98.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.558 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.515 ' CG2' HD21 ' A' ' 23' ' ' LEU . 92.1 t -67.82 -44.16 85.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.511 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 49.6 mt -64.4 -40.51 89.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.534 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.79 -36.87 84.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.543 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 50.3 mt -71.54 -40.26 70.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.559 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.541 ' CD1' ' N ' ' A' ' 83' ' ' PHE . 6.9 m-30 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.546 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.656 HG23 ' OE1' ' A' ' 72' ' ' GLU . 96.0 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.817 0.341 . . . . 0.0 110.561 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.541 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 46.7 pttt -121.84 165.73 15.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.604 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.541 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 63.9 mt-30 -157.08 130.33 7.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.547 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.48 128.95 34.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.625 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 58.9 t -131.82 127.43 58.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.598 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -75.26 134.61 41.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.558 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.436 ' HB ' ' O ' ' A' ' 61' ' ' ARG . 14.1 mm . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.598 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo . . . . . 0 N--CA 1.491 1.364 0 CA-C-O 120.796 0.248 . . . . 0.0 112.067 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.55 ' HB1' HD22 ' A' ' 52' ' ' LEU . . . -57.09 -52.09 66.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.442 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 63.4 mtt -61.81 -43.11 99.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.489 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -64.31 -37.43 87.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.458 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.583 HD21 ' CG2' ' A' ' 79' ' ' VAL . 2.1 mt -53.77 -43.91 69.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.475 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -55.59 -40.72 72.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.467 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -71.63 -35.44 70.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.519 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.412 HD22 ' CE1' ' A' ' 30' ' ' PHE . 77.0 mt -67.12 -42.13 85.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.499 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 31.2 mtp -56.66 -36.66 69.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.503 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -72.22 -34.91 68.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.515 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.92 -35.97 26.43 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.497 ' CD2' ' N ' ' A' ' 30' ' ' PHE . 6.2 m-30 -97.57 153.18 18.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.768 0.318 . . . . 0.0 110.576 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.573 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 97.0 m-20 -100.33 94.36 6.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.552 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.573 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 168.91 151.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.558 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -96.41 133.05 41.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.614 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.596 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 70.5 t -104.13 143.08 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.58 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tt -137.78 133.19 33.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.572 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.448 ' CD2' HG22 ' A' ' 65' ' ' VAL . 4.6 mt -118.94 148.77 42.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.594 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.503 ' HE ' ' HB2' ' A' ' 64' ' ' GLU . 21.7 ptt180 -157.95 142.24 16.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.574 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.448 HD21 HD23 ' A' ' 55' ' ' LEU . 81.0 m-20 -88.82 161.28 16.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.569 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -60.51 -28.58 68.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.524 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.729 ' OE2' ' NH2' ' A' ' 61' ' ' ARG . 94.9 mt-10 -62.19 -18.04 59.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.61 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.44 7.77 39.26 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.8 m -82.06 111.68 18.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 0.0 110.549 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -81.59 106.24 13.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.571 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.644 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -97.25 83.49 3.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.502 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.471 ' C ' ' H ' ' A' ' 47' ' ' ASN . 96.3 mt-10 -39.27 121.27 1.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.559 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' A' ' 34' ' ' VAL . . . -68.63 8.57 0.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.556 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.569 ' N ' ' OD1' ' A' ' 47' ' ' ASN . 0.2 OUTLIER -128.1 33.78 4.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.55 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.3 t -149.8 129.19 12.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.624 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.5 m -65.92 -32.26 57.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.569 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 87.4 mt -60.63 -38.6 78.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.585 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.644 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -67.89 -38.42 82.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.552 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.55 HD22 ' HB1' ' A' ' 20' ' ' ALA . 53.3 tp -58.58 -40.83 84.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.619 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.7 tp -60.04 -38.26 82.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.553 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 89.3 mtp -69.93 -35.84 74.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.636 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.485 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 97.7 mt -64.75 -27.07 68.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.604 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -53.8 -36.74 62.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.558 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 96.6 p -77.55 1.67 18.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.538 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -82.75 23.56 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.56 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -71.57 97.01 1.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.519 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 103.71 5.65 44.66 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.729 ' NH2' ' OE2' ' A' ' 40' ' ' GLU . 7.3 mtp180 -108.38 160.13 16.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.793 0.33 . . . . 0.0 110.564 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -94.21 145.39 24.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.537 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 25.3 pt -133.2 163.12 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.557 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.503 ' HB2' ' HE ' ' A' ' 37' ' ' ARG . 10.5 mt-10 -121.49 106.93 11.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.539 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.448 HG22 ' CD2' ' A' ' 36' ' ' LEU . 4.7 t -86.34 125.2 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.523 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 72.9 tt0 -126.56 143.13 51.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.575 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.586 ' HB2' HD13 ' A' ' 76' ' ' LEU . . . -143.7 145.85 32.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.554 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.495 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 29.8 m -135.29 131.34 36.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.557 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.472 ' N ' ' HB3' ' A' ' 72' ' ' GLU . . . 141.08 165.73 10.44 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -47.71 -43.19 29.19 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.812 2.341 . . . . 0.0 112.189 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -106.03 29.02 7.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.522 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.656 ' OE1' HG23 ' A' ' 3' ' ' VAL . 12.4 pt-20 -57.96 -37.89 75.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.505 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.458 ' HG3' ' H ' ' A' ' 74' ' ' GLU . 2.9 pt-20 -64.76 -46.22 83.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.54 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.458 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 74.2 tt0 -53.39 -51.98 60.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.681 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.49 -47.56 57.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.577 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.586 HD13 ' HB2' ' A' ' 67' ' ' ALA . 2.0 mp -65.87 -41.17 91.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.548 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.66 -43.36 93.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.593 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.19 -43.74 97.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.481 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.583 ' CG2' HD21 ' A' ' 23' ' ' LEU . 86.5 t -70.15 -46.55 71.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.494 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 42.5 mt -63.44 -39.45 85.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.473 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.5 -32.59 73.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.509 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.55 -47.54 75.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.526 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.622 ' CD2' ' N ' ' A' ' 83' ' ' PHE . 2.5 m-30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.497 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 86.8 t . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.725 0.298 . . . . 0.0 110.578 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 46.4 pttt -124.88 172.38 9.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.573 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.57 ' HB2' HD21 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -164.86 130.14 2.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.58 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.33 130.0 35.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.623 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.9 p -138.6 133.28 42.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.559 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.0 mp0 -74.61 134.55 42.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.577 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.416 HD13 ' HA ' ' A' ' 9' ' ' ILE . 6.7 mm . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.506 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo . . . . . 0 N--CA 1.491 1.351 0 CA-C-O 120.838 0.266 . . . . 0.0 112.145 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.412 ' HB1' HD22 ' A' ' 52' ' ' LEU . . . -65.01 -42.73 94.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.521 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 46.8 mtt -67.48 -45.95 74.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.582 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.9 tttt -60.74 -38.98 86.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.486 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.593 HD21 ' CG2' ' A' ' 79' ' ' VAL . 2.9 mt -48.75 -43.11 37.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.574 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -57.23 -40.18 77.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.589 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -70.39 -34.89 73.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.53 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.617 ' O ' ' N ' ' A' ' 30' ' ' PHE . 5.2 mp -66.98 -41.16 87.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.597 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.523 ' HG2' ' N ' ' A' ' 28' ' ' GLN . 1.9 ptt? -56.58 -34.7 67.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.526 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.523 ' N ' ' HG2' ' A' ' 27' ' ' MET . 58.2 tt0 -67.75 -41.67 82.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.647 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.15 -20.71 37.91 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.697 ' HA ' ' NE2' ' A' ' 71' ' ' GLN . 16.3 m-85 -99.38 126.07 45.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.751 0.31 . . . . 0.0 110.601 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.653 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 84.5 m-20 -84.57 96.49 9.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.566 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.684 ' HB1' ' O ' ' A' ' 68' ' ' THR . . . 163.08 150.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.557 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -95.31 134.72 37.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.676 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 m -107.18 144.27 16.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.497 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.403 HD21 ' CD ' ' A' ' 37' ' ' ARG . 1.5 tt -145.13 130.64 18.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.621 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.695 HD23 HG22 ' A' ' 65' ' ' VAL . 6.6 mt -107.1 153.18 23.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.533 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 54.7 mtp180 -149.07 134.26 18.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.548 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.66 HD21 HD23 ' A' ' 55' ' ' LEU . 94.2 m-20 -93.6 157.6 16.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.572 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 65.8 t0 -51.57 -31.83 26.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.593 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.9 mp0 -68.16 -5.07 16.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.522 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.71 20.66 63.24 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.5 m -87.22 113.69 23.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.763 0.316 . . . . 0.0 110.559 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -73.81 105.38 5.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.557 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.628 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -99.21 76.65 2.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.526 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -41.8 121.64 1.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.553 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.63 -3.18 10.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.487 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -108.48 19.68 19.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.541 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.0 m -136.92 130.12 31.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.594 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.415 HG22 ' H ' ' A' ' 49' ' ' VAL . 3.0 m -67.22 -33.16 61.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.486 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 86.6 mt -60.77 -38.17 78.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.602 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.628 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -67.52 -41.2 84.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.549 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 52' ' ' LEU . 42.6 tp -55.83 -39.45 71.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.596 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.3 mt -64.08 -39.49 94.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.589 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 21.8 mmt -66.68 -36.63 82.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.518 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.66 HD23 HD21 ' A' ' 38' ' ' ASN . 97.4 mt -63.37 -35.86 81.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.523 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -50.84 -34.66 28.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.48 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 87.5 p -73.75 -9.2 58.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.488 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -84.18 30.48 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.557 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -71.02 99.77 1.87 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.548 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 102.21 1.51 51.13 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 83.2 mtt-85 -100.6 168.8 9.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.832 0.348 . . . . 0.0 110.568 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -99.26 143.0 30.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.594 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 30.3 pt -131.86 163.3 37.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.542 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -123.32 102.22 7.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.598 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.695 HG22 HD23 ' A' ' 36' ' ' LEU . 21.6 t -82.52 130.94 34.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.574 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -128.13 141.16 51.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.565 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.64 142.02 35.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.638 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.684 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 31.1 m -129.41 141.57 51.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.578 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 129.94 -179.15 17.02 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.531 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 51.6 Cg_endo -73.01 -25.27 16.43 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.834 2.356 . . . . 0.0 112.176 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.697 ' NE2' ' HA ' ' A' ' 30' ' ' PHE . 34.2 mt-30 -105.64 3.88 29.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.574 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.514 ' CG ' ' N ' ' A' ' 73' ' ' GLU . 14.2 pt-20 -46.41 -46.82 18.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.642 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.514 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 93.6 mt-10 -59.19 -47.57 84.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.596 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -64.94 -48.26 74.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.545 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.3 -46.31 83.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.605 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.57 HD21 ' HB2' ' A' ' 5' ' ' GLN . 58.3 tp -62.11 -42.41 99.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.611 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.64 -40.66 88.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.528 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.71 -45.49 89.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.558 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.593 ' CG2' HD21 ' A' ' 23' ' ' LEU . 99.4 t -66.82 -43.75 89.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.547 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 53.6 mt -65.52 -39.5 85.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.586 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.83 -34.96 78.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.586 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.9 mt -70.31 -40.83 74.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.649 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.605 ' CD1' ' N ' ' A' ' 83' ' ' PHE . 5.4 m-30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.546 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.4 t . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.753 0.311 . . . . 0.0 110.58 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 48.5 pttt -124.24 175.39 7.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.602 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.551 ' HB2' HD21 ' A' ' 76' ' ' LEU . 2.1 tp60 -165.81 131.53 2.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.508 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.76 125.52 30.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.636 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 95.5 t -129.61 129.64 66.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.547 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.7 mp0 -72.45 138.19 46.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.584 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.517 HG21 ' O ' ' A' ' 58' ' ' ALA . 15.3 mm . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.602 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo . . . . . 0 N--CA 1.491 1.367 0 CA-C-O 120.837 0.265 . . . . 0.0 112.094 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.42 -43.51 96.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.535 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 52.0 mtt -66.34 -44.61 82.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.625 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -61.33 -38.16 85.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.512 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.562 HD21 ' CG2' ' A' ' 79' ' ' VAL . 2.4 mt -47.0 -46.07 21.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.551 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.426 ' CE1' ' O ' ' A' ' 46' ' ' ALA . 9.2 m-85 -56.01 -37.35 69.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.487 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -75.41 -35.56 60.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.552 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.457 HD22 ' CE1' ' A' ' 30' ' ' PHE . 93.9 mt -62.75 -43.98 97.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.506 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 78.5 mtp -57.51 -33.94 68.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.492 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -77.07 -43.94 32.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.557 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.12 -40.52 82.78 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.533 ' CD2' ' N ' ' A' ' 30' ' ' PHE . 4.0 m-30 -96.45 163.5 13.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.758 0.313 . . . . 0.0 110.548 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.516 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 84.8 m-20 -104.94 92.32 4.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.538 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.516 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 172.22 155.51 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.604 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 68' ' ' THR . 85.2 tt0 -100.43 133.33 45.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.546 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 97.6 t -109.76 138.58 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.507 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 tt -136.81 134.29 36.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.659 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.573 ' CD2' HG13 ' A' ' 65' ' ' VAL . 32.4 mt -109.1 150.37 27.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.593 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -151.62 137.44 18.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.637 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.775 HD21 HD23 ' A' ' 55' ' ' LEU . 75.7 m-20 -91.27 154.77 19.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.543 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 56.1 t0 -55.47 -26.75 44.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.627 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.464 ' HG3' HH11 ' A' ' 61' ' ' ARG . 95.6 mt-10 -66.46 -18.53 65.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.549 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.29 8.51 38.24 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 77.9 m -83.67 114.14 21.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.79 0.329 . . . . 0.0 110.512 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -82.87 105.38 13.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.593 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.686 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -95.51 70.55 3.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.506 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.472 ' C ' ' H ' ' A' ' 47' ' ' ASN . 91.7 mt-10 -38.27 120.95 0.94 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.528 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.426 ' O ' ' CE1' ' A' ' 24' ' ' PHE . . . -62.4 0.12 0.5 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.569 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.492 ' CG ' ' O ' ' A' ' 47' ' ' ASN . 0.6 OUTLIER -110.23 25.54 11.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.575 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.35 123.86 14.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.47 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.431 ' H ' HG22 ' A' ' 49' ' ' VAL . 2.0 m -64.81 -36.67 78.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.591 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 81.4 mt -62.49 -35.92 72.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.529 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.686 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -65.37 -42.99 92.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.578 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 49.5 tp -60.51 -40.19 90.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.582 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.6 HD23 ' OD2' ' A' ' 56' ' ' ASP . 1.0 OUTLIER -63.66 -30.66 71.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.576 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 47.0 tpp -72.81 -36.02 67.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.544 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.775 HD23 HD21 ' A' ' 38' ' ' ASN . 96.0 mt -64.89 -18.46 65.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.585 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.6 ' OD2' HD23 ' A' ' 53' ' ' LEU . 98.2 m-20 -54.63 -37.73 66.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.621 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 71.8 m -78.95 0.38 27.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.594 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.517 ' O ' HG21 ' A' ' 9' ' ' ILE . . . -85.0 30.04 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.628 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.9 pttp -75.35 96.92 3.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.539 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 106.23 7.27 35.44 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.464 HH11 ' HG3' ' A' ' 40' ' ' GLU . 62.7 mtp85 -107.93 159.71 16.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 110.515 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -93.85 143.34 26.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.601 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 42.7 pt -129.8 163.39 35.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.56 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -122.15 100.55 7.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.556 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.573 HG13 ' CD2' ' A' ' 36' ' ' LEU . 21.8 t -83.17 128.04 39.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.535 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -123.64 139.52 53.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.585 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -135.88 133.02 37.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.572 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.472 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 25.9 m -127.42 132.2 50.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.593 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.424 ' N ' ' HB3' ' A' ' 72' ' ' GLU . . . 140.31 166.05 10.52 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -47.38 -42.51 27.96 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.781 2.321 . . . . 0.0 112.154 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -101.93 22.31 13.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.568 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.426 ' CG ' ' N ' ' A' ' 73' ' ' GLU . 22.4 pt-20 -49.79 -41.34 44.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.518 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.426 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 93.1 mt-10 -64.08 -46.4 84.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.621 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -56.83 -49.39 75.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.569 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.569 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -56.56 -46.51 80.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.542 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.551 HD21 ' HB2' ' A' ' 5' ' ' GLN . 43.7 tp -64.59 -44.11 91.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.494 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.7 -42.66 97.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.505 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.16 -43.66 98.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.57 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 75' ' ' ALA . 57.9 t -67.05 -43.74 88.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.584 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 43.0 mt -64.37 -40.61 89.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.555 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.21 -34.59 76.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.536 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -72.5 -41.0 66.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.486 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.586 ' CD1' ' N ' ' A' ' 83' ' ' PHE . 5.8 m-30 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.591 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.776 ' O ' HD11 ' A' ' 76' ' ' LEU . 83.7 t . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.729 0.3 . . . . 0.0 110.516 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.527 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 11.3 pttm -119.29 164.9 14.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.632 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.527 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 55.6 mt-30 -156.56 129.16 7.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.533 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.77 126.15 30.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.512 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 92.3 t -130.28 131.62 65.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.588 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -77.09 133.02 39.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.441 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.704 HG21 ' O ' ' A' ' 58' ' ' ALA . 4.3 mm . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.624 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_exo . . . . . 0 N--CA 1.49 1.302 0 CA-C-O 120.8 0.25 . . . . 0.0 112.078 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.47 ' HB1' ' CD2' ' A' ' 52' ' ' LEU . . . -59.48 -47.46 85.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.527 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 65.2 mtt -65.23 -41.44 94.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.483 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.4 mttm -62.95 -37.34 86.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.499 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.495 HD21 ' CG2' ' A' ' 79' ' ' VAL . 1.6 mt -48.71 -45.79 39.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.433 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.434 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 16.6 m-85 -55.85 -42.42 75.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.44 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -70.91 -38.11 72.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.419 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' A' ' 30' ' ' PHE . 93.5 mt -63.35 -42.91 98.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.407 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 77.1 mtp -56.92 -36.66 70.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.517 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -63.7 -42.08 98.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.476 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -89.09 -20.54 45.67 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.553 ' N ' ' O ' ' A' ' 26' ' ' LEU . 9.5 m-85 -99.57 125.93 45.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.773 0.32 . . . . 0.0 110.576 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.655 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 83.7 m-20 -81.17 95.51 6.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.488 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.655 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 163.48 153.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.59 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.401 ' O ' ' HA ' ' A' ' 67' ' ' ALA . 86.9 tt0 -99.09 125.86 44.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.549 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 73.1 t -103.84 137.2 33.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.519 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.0 tt -137.66 136.71 37.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.582 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.646 HD23 HG22 ' A' ' 65' ' ' VAL . 8.2 mt -107.7 148.41 29.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.604 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.0 ttp85 -147.52 134.84 20.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.527 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.719 HD21 HD23 ' A' ' 55' ' ' LEU . 98.3 m-20 -89.66 156.9 18.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.602 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -54.37 -26.68 31.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.522 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -67.52 -9.93 46.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.616 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.65 14.24 58.52 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.8 m -86.29 117.52 25.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.786 0.327 . . . . 0.0 110.563 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -79.88 105.92 11.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.541 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.552 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -97.09 75.79 2.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.587 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -40.31 120.95 1.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.55 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.434 ' O ' ' CZ ' ' A' ' 24' ' ' PHE . . . -65.91 -14.42 61.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.562 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.504 ' OD1' ' O ' ' A' ' 47' ' ' ASN . 28.0 t-20 -99.17 30.34 3.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.557 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.0 t -146.1 126.1 13.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.555 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.4 ' H ' HG22 ' A' ' 49' ' ' VAL . 4.8 m -66.4 -31.91 55.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.542 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 86.0 mt -60.97 -39.48 82.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.519 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.552 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -68.09 -42.24 80.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.579 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.47 ' CD2' ' HB1' ' A' ' 20' ' ' ALA . 4.6 mp -56.58 -39.62 73.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.594 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.429 HD23 ' OD2' ' A' ' 56' ' ' ASP . 1.8 mt -68.18 -31.84 71.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.569 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 14.6 tpt -72.26 -34.8 68.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.53 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.719 HD23 HD21 ' A' ' 38' ' ' ASN . 97.5 mt -65.78 -23.21 66.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.591 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.429 ' OD2' HD23 ' A' ' 53' ' ' LEU . 99.0 m-20 -52.99 -35.75 59.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.539 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 92.8 p -74.94 -9.62 58.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.516 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.704 ' O ' HG21 ' A' ' 9' ' ' ILE . . . -80.68 30.92 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.533 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.403 ' HG2' ' H ' ' A' ' 59' ' ' LYS . 2.9 ptmm? -73.78 97.49 2.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.559 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 103.29 4.87 46.89 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.45 ' O ' ' HB ' ' A' ' 9' ' ' ILE . 83.4 mtt-85 -102.11 167.12 10.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.758 0.313 . . . . 0.0 110.525 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -99.05 143.52 29.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.511 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.408 HG22 ' OD1' ' A' ' 38' ' ' ASN . 17.8 pt -132.77 160.52 42.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.637 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -121.41 100.69 7.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.549 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.646 HG22 HD23 ' A' ' 36' ' ' LEU . 17.2 t -78.7 128.97 38.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.498 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 73.4 tt0 -123.5 136.72 54.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.643 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.401 ' HA ' ' O ' ' A' ' 33' ' ' GLU . . . -136.56 137.2 39.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.498 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.562 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 89.5 m -124.98 138.27 54.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.612 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 132.4 -177.92 18.41 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.48 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 44.6 Cg_endo -71.77 -26.82 18.77 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.806 2.337 . . . . 0.0 112.14 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.572 ' OE1' ' N ' ' A' ' 31' ' ' ASP . 51.0 mt-30 -104.76 9.43 34.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.503 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.496 ' CG ' ' N ' ' A' ' 73' ' ' GLU . 20.7 pt-20 -48.82 -48.97 41.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.569 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.496 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 2.8 pt-20 -62.0 -39.59 92.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.479 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -67.67 -49.53 62.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.564 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.521 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -53.78 -44.44 70.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.582 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.776 HD11 ' O ' ' A' ' 3' ' ' VAL . 76.9 mt -63.05 -41.54 99.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.494 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.79 -44.25 90.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.49 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.23 -42.95 96.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.45 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 75' ' ' ALA . 61.9 t -68.49 -45.98 81.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.472 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 57.6 mt -63.02 -41.57 93.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.469 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.31 -35.95 82.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.428 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 19.5 mt -72.63 -38.36 67.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.426 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.519 179.903 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.1 t . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.753 0.311 . . . . 0.0 110.509 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.1 166.28 16.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.639 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.406 ' OE1' ' CD1' ' A' ' 80' ' ' ILE . 53.7 tt0 -169.77 135.44 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.551 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.8 135.05 36.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.566 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 86.7 t -135.03 127.38 48.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.675 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -71.2 131.57 43.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.49 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.801 HG21 ' O ' ' A' ' 58' ' ' ALA . 4.9 mm . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.71 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo . . . . . 0 N--CA 1.491 1.341 0 CA-C-O 120.783 0.243 . . . . 0.0 112.064 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.461 ' HB1' HD22 ' A' ' 52' ' ' LEU . . . -60.6 -51.13 70.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.494 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 20.1 mmt -62.16 -40.87 97.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.41 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -66.42 -37.26 84.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.503 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.491 HD21 ' CG2' ' A' ' 79' ' ' VAL . 2.1 mt -49.1 -45.63 43.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.459 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.511 ' CE1' ' O ' ' A' ' 46' ' ' ALA . 8.8 m-85 -57.58 -42.61 83.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.38 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -71.54 -38.5 71.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.376 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.508 ' O ' ' N ' ' A' ' 30' ' ' PHE . 78.5 mt -64.4 -40.9 96.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.461 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 14.7 mtm -56.45 -36.97 69.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.531 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -61.02 -41.76 97.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.511 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.98 -18.8 45.54 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.508 ' N ' ' O ' ' A' ' 26' ' ' LEU . 9.5 m-85 -99.69 119.99 38.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.795 0.331 . . . . 0.0 110.514 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.679 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 66.7 t0 -78.47 98.94 6.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.578 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.679 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 161.63 152.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.561 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 68' ' ' THR . 86.6 tt0 -98.23 132.8 43.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.574 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.415 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 52.2 t -105.7 139.49 26.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.557 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.455 HD21 ' CD ' ' A' ' 37' ' ' ARG . 1.3 tt -137.74 126.68 24.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.504 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.55 HD11 HG13 ' A' ' 65' ' ' VAL . 8.0 mp -106.91 153.53 22.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.665 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.455 ' CD ' HD21 ' A' ' 35' ' ' LEU . 83.7 mtm180 -147.34 132.13 17.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.501 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -86.42 156.24 20.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.601 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -53.59 -36.75 62.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.543 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -65.22 -6.29 9.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.513 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.85 18.44 56.26 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 21.2 m -83.33 110.52 18.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.341 . . . . 0.0 110.562 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -70.68 105.2 3.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.547 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.628 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -100.91 72.16 1.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.576 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 55.1 mp0 -39.35 120.43 1.04 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.587 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.511 ' O ' ' CE1' ' A' ' 24' ' ' PHE . . . -58.05 -15.54 9.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.52 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.457 ' OD1' ' O ' ' A' ' 47' ' ' ASN . 29.0 t-20 -104.84 46.22 0.93 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.58 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.2 t -157.04 121.08 4.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.586 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.1 m -64.8 -33.81 65.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.556 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 86.4 mt -62.4 -37.1 77.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.451 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.628 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -66.48 -42.57 87.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.585 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.461 HD22 ' HB1' ' A' ' 20' ' ' ALA . 45.9 tp -57.93 -39.71 78.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.569 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.78 -35.61 81.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.588 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -37.96 80.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.552 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.486 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 96.0 mt -64.33 -21.91 66.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.602 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -50.72 -37.38 41.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.533 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.425 ' C ' ' H ' ' A' ' 59' ' ' LYS . 88.7 p -76.45 -6.53 52.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.584 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.801 ' O ' HG21 ' A' ' 9' ' ' ILE . . . -78.29 30.73 0.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.596 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.425 ' H ' ' C ' ' A' ' 57' ' ' SER . 65.8 tttm -74.36 96.05 2.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.54 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 102.51 4.62 49.48 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.426 ' O ' ' HB ' ' A' ' 9' ' ' ILE . 84.2 mtt-85 -100.37 169.2 9.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.811 0.339 . . . . 0.0 110.574 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -101.2 143.48 31.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.509 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 15.7 pt -132.75 158.65 43.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.638 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -117.52 103.99 10.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.541 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.55 HG13 HD11 ' A' ' 36' ' ' LEU . 17.2 t -85.86 126.73 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.553 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -124.42 140.09 53.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.599 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.43 ' O ' ' HB2' ' A' ' 72' ' ' GLU . . . -136.83 134.04 36.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.586 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 33' ' ' GLU . 37.3 m -127.03 130.06 49.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.597 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.475 ' N ' ' HB3' ' A' ' 72' ' ' GLU . . . 138.92 168.34 11.22 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -48.1 -41.35 33.87 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.864 2.376 . . . . 0.0 112.129 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -100.73 21.23 13.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.582 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.475 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 23.6 pt-20 -53.06 -45.88 68.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.491 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.446 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 22.9 pt-20 -68.32 -36.78 79.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.613 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -64.75 -51.72 60.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.577 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.572 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -54.95 -43.99 73.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.54 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.3 tp -62.18 -44.99 95.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.534 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.83 -43.23 94.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.538 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.8 -44.43 96.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.524 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 75' ' ' ALA . 58.7 t -66.81 -44.79 88.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.467 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.406 ' CD1' ' OE1' ' A' ' 5' ' ' GLN . 56.5 mt -63.13 -41.8 94.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.491 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.83 -35.65 80.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.445 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.5 mt -73.0 -41.14 64.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.407 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.484 179.936 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.664 HG22 ' O ' ' A' ' 67' ' ' ALA . 3.2 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.797 0.332 . . . . 0.0 110.559 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -119.44 143.86 47.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.627 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.417 ' NE2' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -146.06 132.68 19.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.54 179.917 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.417 ' O ' ' NE2' ' A' ' 5' ' ' GLN . 0.1 OUTLIER -86.16 127.96 34.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.652 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 85.3 t -128.81 130.36 68.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.508 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.427 ' OE1' ' N ' ' A' ' 8' ' ' GLU . 41.6 mp0 -79.72 127.95 32.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.613 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.716 HG21 ' O ' ' A' ' 58' ' ' ALA . 5.3 mm . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.545 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo . . . . . 0 N--CA 1.491 1.348 0 CA-C-O 120.804 0.252 . . . . 0.0 112.059 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.445 ' HB1' HD21 ' A' ' 52' ' ' LEU . . . -61.92 -39.92 93.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.473 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 13.1 mmt -68.58 -44.67 73.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.515 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.456 ' HE2' HD21 ' A' ' 26' ' ' LEU . 85.3 tttt -62.74 -37.16 85.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.579 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.457 HD22 HG21 ' A' ' 34' ' ' VAL . 2.3 mt -44.6 -45.96 9.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.562 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.615 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 6.3 m-85 -53.04 -36.91 61.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.501 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -79.22 -33.32 43.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.446 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.587 HD22 ' CE1' ' A' ' 30' ' ' PHE . 72.6 mt -60.29 -49.87 75.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.506 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.557 ' HG3' ' N ' ' A' ' 28' ' ' GLN . 1.8 ppp? -53.15 -28.47 26.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.541 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.557 ' N ' ' HG3' ' A' ' 27' ' ' MET . 8.5 tp-100 -82.62 -43.61 16.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.508 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.72 -34.68 62.59 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.587 ' CE1' HD22 ' A' ' 26' ' ' LEU . 6.4 m-85 -103.57 146.81 27.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.771 0.32 . . . . 0.0 110.629 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.572 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 74.1 m-20 -91.0 94.96 9.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.499 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.572 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 168.89 157.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.615 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -101.79 130.38 48.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.588 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.457 HG21 HD22 ' A' ' 23' ' ' LEU . 22.8 m -108.58 145.63 15.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.543 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.3 tt -146.34 140.38 26.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.601 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.401 ' HB2' ' HB3' ' A' ' 44' ' ' ALA . 1.8 mp -109.72 147.81 32.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.531 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.522 HH11 ' CG ' ' A' ' 43' ' ' GLU . 19.7 ttm180 -146.93 134.27 20.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.559 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.686 HD21 HD23 ' A' ' 55' ' ' LEU . 87.6 m-20 -94.97 161.04 14.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.569 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -52.52 -34.06 48.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.536 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.499 ' OE2' ' CZ ' ' A' ' 61' ' ' ARG . 98.3 mt-10 -65.1 -9.81 25.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.54 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.64 7.5 66.66 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.4 m -77.15 112.08 13.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.816 0.341 . . . . 0.0 110.576 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.522 ' CG ' HH11 ' A' ' 37' ' ' ARG . 99.8 mt-10 -76.75 100.22 5.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.635 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.691 ' HA ' ' HB1' ' A' ' 51' ' ' ALA . . . -84.41 57.56 4.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.569 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.0 mp0 -41.08 120.54 1.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.571 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.615 ' O ' ' CZ ' ' A' ' 24' ' ' PHE . . . -58.46 -30.18 66.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.56 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.435 ' O ' ' CG ' ' A' ' 47' ' ' ASN . 0.6 OUTLIER -74.99 22.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.558 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.482 ' H ' ' C ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -142.95 121.16 12.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.518 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.6 m -64.94 -36.48 77.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.56 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 81.6 mt -61.87 -35.42 67.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.674 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.691 ' HB1' ' HA ' ' A' ' 44' ' ' ALA . . . -65.64 -43.96 87.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.607 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.445 HD21 ' HB1' ' A' ' 20' ' ' ALA . 2.9 mp -58.49 -35.41 72.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.599 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.43 HD13 ' OD2' ' A' ' 56' ' ' ASP . 0.9 OUTLIER -68.1 -33.78 75.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.589 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 22.0 mmt -69.08 -35.7 76.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.572 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.686 HD23 HD21 ' A' ' 38' ' ' ASN . 95.3 mt -62.72 -25.4 68.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.603 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.43 ' OD2' HD13 ' A' ' 53' ' ' LEU . 94.6 m-20 -53.32 -35.12 59.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.616 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.1 m -82.5 1.83 35.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.561 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.716 ' O ' HG21 ' A' ' 9' ' ' ILE . . . -84.88 28.39 0.69 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.653 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -75.52 96.35 3.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.531 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 106.84 4.84 36.25 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.499 ' CZ ' ' OE2' ' A' ' 40' ' ' GLU . 95.1 mtt180 -107.34 162.73 13.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.818 0.342 . . . . 0.0 110.597 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -99.64 148.02 24.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.569 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.517 HG22 ' OD1' ' A' ' 38' ' ' ASN . 15.1 pt -134.71 160.18 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.565 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -119.53 102.56 8.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.541 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 25.4 t -81.92 122.46 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.574 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 53.7 tt0 -115.69 135.37 54.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.531 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.664 ' O ' HG22 ' A' ' 3' ' ' VAL . . . -135.53 131.53 36.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.569 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.535 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 37.3 m -124.62 130.32 52.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.569 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.533 ' N ' ' HB3' ' A' ' 72' ' ' GLU . . . 141.27 163.8 9.7 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -47.36 -48.44 15.16 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.809 2.339 . . . . 0.0 112.183 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 74' ' ' GLU . 77.3 mt-30 -92.94 7.86 42.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.563 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.533 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 25.4 pt-20 -39.35 -35.89 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.566 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -66.17 -46.51 77.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.587 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 71' ' ' GLN . 74.5 tt0 -55.54 -51.88 65.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.563 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.616 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -53.85 -48.39 70.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.549 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.4 mt -64.72 -44.73 89.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.493 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.47 -42.43 99.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.584 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.49 -44.82 93.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.487 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 75' ' ' ALA . 82.2 t -66.89 -43.62 89.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.531 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 55.5 mt -64.04 -42.13 94.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.576 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.58 -35.1 78.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.522 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -73.53 -39.43 64.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.459 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.535 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.3 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.822 0.344 . . . . 0.0 110.541 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 1.3 pttm -126.0 167.02 15.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.6 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -168.76 135.34 1.84 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.525 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.07 134.11 35.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.598 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 71.7 t -136.3 126.81 41.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.574 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -71.83 130.66 41.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.664 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.664 HG21 ' O ' ' A' ' 58' ' ' ALA . 6.3 mm . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.561 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo . . . . . 0 N--CA 1.491 1.354 0 CA-C-O 120.817 0.257 . . . . 0.0 112.077 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.11 -46.29 91.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.481 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 68.2 mtp -63.25 -45.73 90.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.499 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -64.39 -39.14 93.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.442 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.459 HD21 ' CG2' ' A' ' 79' ' ' VAL . 1.7 mt -49.04 -45.3 42.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.525 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.53 ' CE1' ' O ' ' A' ' 46' ' ' ALA . 3.8 m-85 -55.58 -38.21 69.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.459 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -73.5 -35.41 65.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.451 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.661 HD22 ' CE1' ' A' ' 30' ' ' PHE . 66.1 mt -62.43 -44.21 96.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.47 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 48.2 mmm -56.06 -32.16 63.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.492 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -80.56 -43.21 21.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.534 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.78 -40.04 75.96 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.661 ' CE1' HD22 ' A' ' 26' ' ' LEU . 5.7 m-30 -98.82 158.6 15.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.791 0.329 . . . . 0.0 110.479 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.475 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 11.8 m-20 -103.17 92.95 4.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.527 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 174.49 154.36 0.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.552 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -99.54 127.38 45.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.601 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 81.8 t -106.67 138.32 32.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.583 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.7 tt -137.53 132.39 33.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.558 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.578 HD22 HG22 ' A' ' 65' ' ' VAL . 21.5 mt -107.18 150.58 26.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.555 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.8 ttp180 -150.87 135.94 17.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.617 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.544 HD21 HD23 ' A' ' 55' ' ' LEU . 93.2 m-20 -89.09 154.46 20.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.599 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.406 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 39.9 p-10 -56.28 -22.93 33.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.576 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -69.72 -17.49 63.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.598 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 102.56 10.09 39.17 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.4 m -86.96 116.28 24.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.824 0.345 . . . . 0.0 110.519 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -79.43 105.65 10.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.55 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.667 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -93.66 64.75 3.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.557 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.527 ' HG2' ' H ' ' A' ' 47' ' ' ASN . 72.3 tt0 -39.24 120.94 1.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.562 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.53 ' O ' ' CE1' ' A' ' 24' ' ' PHE . . . -59.27 -7.68 1.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.538 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.527 ' H ' ' HG2' ' A' ' 45' ' ' GLU . 28.7 t-20 -108.0 42.7 1.31 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.577 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.63 124.44 5.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.571 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.444 HG23 ' N ' ' A' ' 50' ' ' ILE . 34.5 m -64.3 -38.95 83.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.559 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.444 ' N ' HG23 ' A' ' 49' ' ' VAL . 88.3 mt -61.05 -35.92 68.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.623 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.667 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -65.36 -41.66 93.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.631 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 44.1 tp -59.97 -39.55 86.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.564 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.5 mt -63.76 -36.33 83.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.591 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 59.4 mtt -67.21 -38.72 85.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.539 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.544 HD23 HD21 ' A' ' 38' ' ' ASN . 96.6 mt -61.78 -26.95 68.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.488 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -53.71 -38.12 63.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.548 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 44.6 t -76.9 1.67 16.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.578 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.664 ' O ' HG21 ' A' ' 9' ' ' ILE . . . -90.02 30.57 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.556 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -75.44 95.41 3.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.571 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.52 4.69 40.15 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -104.09 167.79 9.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.766 0.317 . . . . 0.0 110.581 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -99.88 142.15 31.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.626 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.1 pt -130.06 163.49 35.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.588 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -120.72 108.02 13.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.547 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.578 HG22 HD22 ' A' ' 36' ' ' LEU . 94.1 t -89.88 126.18 42.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.613 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -122.2 138.07 54.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.555 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.1 134.44 34.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.494 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 29.8 m -131.05 132.37 44.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.491 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.484 ' N ' ' HB3' ' A' ' 72' ' ' GLU . . . 141.37 167.12 11.04 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -47.87 -43.96 28.28 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.84 2.36 . . . . 0.0 112.123 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -106.18 30.33 6.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.595 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.484 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 14.4 pt-20 -59.39 -38.08 79.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.565 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -64.06 -47.27 80.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.52 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -55.05 -51.04 67.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.519 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.63 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -53.04 -47.69 68.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.535 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.0 -44.74 95.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.514 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.85 -43.14 94.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.542 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.99 -43.3 99.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.531 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 75' ' ' ALA . 60.9 t -67.25 -44.69 87.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.477 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 45.2 mt -63.12 -40.72 90.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.47 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.96 -34.6 76.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.509 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -70.89 -40.66 72.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.527 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.533 ' CD1' ' N ' ' A' ' 83' ' ' PHE . 7.6 m-30 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.548 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.551 ' O ' HG13 ' A' ' 3' ' ' VAL . 13.5 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.852 0.358 . . . . 0.0 110.627 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 3.9 pttm -123.27 168.38 12.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.515 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.541 ' HB2' HD21 ' A' ' 76' ' ' LEU . 6.8 mt-30 -165.62 134.22 3.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.612 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.19 127.2 32.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.618 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.2 t -123.41 130.27 74.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.47 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -86.72 122.7 30.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.552 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 65.1 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.576 179.898 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' A' ' 23' ' ' LEU . 47.5 Cg_endo . . . . . 0 N--CA 1.491 1.331 0 CA-C-O 120.743 0.226 . . . . 0.0 112.093 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.501 ' HB1' HD22 ' A' ' 52' ' ' LEU . . . -48.41 -53.12 18.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.477 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 44.8 mtm -63.54 -50.42 69.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.473 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -59.35 -33.17 70.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.497 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.651 HD21 ' CG2' ' A' ' 79' ' ' VAL . 2.7 mt -48.82 -51.54 28.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.465 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -51.9 -41.82 62.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.416 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -75.76 -35.25 60.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.462 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.604 HD11 ' CZ ' ' A' ' 30' ' ' PHE . 34.2 tp -63.83 -42.81 97.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.506 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.452 ' O ' ' O ' ' A' ' 30' ' ' PHE . 84.6 mtp -58.09 -32.65 68.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.527 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -66.19 -42.93 88.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.486 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.57 -32.31 34.29 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.604 ' CZ ' HD11 ' A' ' 26' ' ' LEU . 7.4 m-30 -93.61 133.04 37.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.752 0.311 . . . . 0.0 110.517 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.749 ' O ' ' HD2' ' A' ' 70' ' ' PRO . 84.9 m-20 -85.04 91.17 8.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.58 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.676 ' HB1' ' O ' ' A' ' 68' ' ' THR . . . 170.77 156.35 0.07 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.547 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -102.93 131.99 49.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.512 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 90.9 t -107.46 137.0 40.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.546 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.0 tt -134.57 131.98 38.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.532 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.547 HD23 HG22 ' A' ' 65' ' ' VAL . 7.2 mt -106.41 148.84 27.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.636 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.617 HH11 ' CG ' ' A' ' 43' ' ' GLU . 19.8 ttm180 -147.35 134.25 20.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.497 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.647 HD21 HD23 ' A' ' 55' ' ' LEU . 93.4 m-20 -91.36 157.89 16.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.639 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 59.5 t0 -53.48 -28.76 32.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.611 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -67.83 -11.73 59.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.582 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.69 14.91 57.59 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.4 m -84.03 114.56 21.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.778 0.323 . . . . 0.0 110.496 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.617 ' CG ' HH11 ' A' ' 37' ' ' ARG . 98.6 mt-10 -74.55 104.92 5.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.577 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.646 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -96.06 68.28 2.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.532 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.517 ' C ' ' H ' ' A' ' 47' ' ' ASN . 93.9 mt-10 -40.36 120.86 1.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.623 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.48 13.19 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.547 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.517 ' H ' ' C ' ' A' ' 45' ' ' GLU . 0.5 OUTLIER -117.62 19.07 14.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.625 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.2 t -143.8 129.93 19.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.597 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.432 HG22 ' H ' ' A' ' 49' ' ' VAL . 12.0 m -64.23 -31.36 53.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.597 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 83.7 mt -61.81 -39.61 84.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.637 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.646 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -66.71 -41.33 88.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.568 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.501 HD22 ' HB1' ' A' ' 20' ' ' ALA . 79.8 mt -58.76 -36.85 75.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.605 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -67.37 -36.15 80.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.547 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 60.7 mtt -67.47 -39.15 85.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.525 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.647 HD23 HD21 ' A' ' 38' ' ' ASN . 96.5 mt -61.18 -36.95 81.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.546 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.408 ' OD1' ' O ' ' A' ' 56' ' ' ASP . 66.3 t0 -48.67 -34.52 12.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.554 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.408 ' C ' ' H ' ' A' ' 59' ' ' LYS . 89.6 p -77.02 -7.68 56.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.533 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -79.65 28.86 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.544 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.44 ' HG2' ' H ' ' A' ' 59' ' ' LYS . 28.7 pttt -70.43 98.2 1.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.616 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.11 0.74 41.52 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 65.3 mtp85 -103.78 160.83 14.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 0.0 110.581 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -92.89 147.32 22.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.613 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.404 HD13 HG21 ' A' ' 63' ' ' ILE . 16.4 pt -132.83 159.71 43.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.557 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -119.64 97.54 5.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.566 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.547 HG22 HD23 ' A' ' 36' ' ' LEU . 14.9 t -79.0 128.36 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.576 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -126.94 140.51 52.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.472 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.09 137.46 37.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.579 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.676 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 39.3 m -125.26 142.2 51.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.556 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 127.89 -177.2 17.72 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.749 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 44.3 Cg_endo -71.7 -30.88 13.96 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.828 2.352 . . . . 0.0 112.087 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.57 ' NE2' ' HA ' ' A' ' 30' ' ' PHE . 35.2 mt-30 -102.43 9.8 39.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.597 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.448 ' CG ' ' N ' ' A' ' 73' ' ' GLU . 22.3 pt-20 -46.57 -45.63 18.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.518 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.448 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 1.9 pt-20 -60.1 -44.49 94.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.515 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.405 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 90.5 mt-10 -61.58 -49.99 74.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.563 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.556 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -58.09 -47.37 83.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.465 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.541 HD21 ' HB2' ' A' ' 5' ' ' GLN . 3.4 tp -64.24 -45.97 85.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.519 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.53 -42.3 99.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.505 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.36 -45.32 93.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.478 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.651 ' CG2' HD21 ' A' ' 23' ' ' LEU . 96.8 t -68.08 -45.02 84.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.533 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 59.0 mt -62.55 -44.0 98.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.442 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.85 -34.04 73.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.49 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -74.21 -40.88 62.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.549 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.565 179.852 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 94.1 t . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.778 0.323 . . . . 0.0 110.576 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.623 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 48.3 pttt -123.25 174.52 7.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.645 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.623 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 33.8 mt-30 -163.86 134.58 4.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.479 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.17 124.62 28.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.641 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 93.2 t -125.08 133.21 70.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.512 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.462 ' OE1' ' N ' ' A' ' 8' ' ' GLU . 37.6 mp0 -88.22 128.1 35.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.541 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.425 HD12 ' HB1' ' A' ' 58' ' ' ALA . 36.5 mt . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.538 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo . . . . . 0 N--CA 1.491 1.328 0 CA-C-O 120.82 0.258 . . . . 0.0 112.113 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.492 ' HB1' ' CD2' ' A' ' 52' ' ' LEU . . . -64.62 -41.47 96.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.469 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 11.1 mmt -71.04 -48.03 55.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.472 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.8 tttm -61.3 -34.25 74.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.52 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.531 HD22 HG21 ' A' ' 34' ' ' VAL . 1.0 OUTLIER -46.73 -46.03 20.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.499 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.421 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 23.4 m-85 -56.7 -39.55 74.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.483 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -69.97 -37.82 75.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.417 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.614 ' O ' ' N ' ' A' ' 30' ' ' PHE . 5.8 mp -64.55 -43.18 94.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.49 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 83.9 mtp -56.94 -35.92 69.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.489 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -65.1 -41.17 95.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.488 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.15 -19.23 39.96 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.614 ' N ' ' O ' ' A' ' 26' ' ' LEU . 13.2 m-85 -100.73 122.7 43.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.821 0.343 . . . . 0.0 110.538 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.646 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 11.6 m-20 -79.33 95.35 5.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.596 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.646 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 163.75 153.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.615 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -101.17 129.24 47.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.618 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.531 HG21 HD22 ' A' ' 23' ' ' LEU . 27.6 m -108.1 142.19 21.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.517 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 tt -140.22 138.44 35.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.607 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 mp -109.45 149.87 28.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.602 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -148.85 135.75 19.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.614 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.726 HD21 HD23 ' A' ' 55' ' ' LEU . 96.4 m-20 -91.17 157.92 16.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.561 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 59.4 t0 -54.04 -28.2 37.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.591 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.61 ' OE2' ' NH2' ' A' ' 61' ' ' ARG . 43.8 mt-10 -66.56 -9.33 34.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.533 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.41 5.36 65.35 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.6 m -78.01 117.99 19.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.727 0.299 . . . . 0.0 110.59 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.4 ' H ' ' CD ' ' A' ' 43' ' ' GLU . 6.0 pm0 -81.58 103.31 11.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.579 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.592 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -90.6 70.29 6.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.535 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -38.8 120.54 0.97 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.574 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.447 ' CB ' HG23 ' A' ' 34' ' ' VAL . . . -57.92 -27.58 63.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.511 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -90.8 42.97 1.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.573 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.9 t -154.81 120.58 5.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.551 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.3 m -66.72 -32.51 58.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.629 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 86.9 mt -61.52 -36.36 72.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.581 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.592 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -69.67 -42.53 74.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.564 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.492 ' CD2' ' HB1' ' A' ' 20' ' ' ALA . 5.9 mp -56.21 -39.44 72.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.524 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.831 ' O ' HD23 ' A' ' 53' ' ' LEU . 1.7 tt -67.76 -35.75 79.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.539 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 14.3 tpt -70.36 -33.64 71.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.472 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.726 HD23 HD21 ' A' ' 38' ' ' ASN . 94.9 mt -63.5 -26.2 68.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.61 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' A' ' 56' ' ' ASP . 67.1 t0 -51.72 -33.19 33.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.558 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 84.8 p -78.75 -5.74 54.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.516 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.425 ' HB1' HD12 ' A' ' 9' ' ' ILE . . . -80.2 13.02 2.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.514 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.407 ' HG2' ' H ' ' A' ' 59' ' ' LYS . 31.1 pttt -60.76 97.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.562 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 103.65 1.68 46.51 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.61 ' NH2' ' OE2' ' A' ' 40' ' ' GLU . 25.1 mtp180 -103.7 159.66 15.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.776 0.322 . . . . 0.0 110.563 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -91.37 145.81 24.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.617 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 20.4 pt -132.69 161.0 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.588 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -121.78 100.04 6.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.591 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 8.6 t -81.0 128.78 38.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.538 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 75.4 tt0 -124.12 140.06 53.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.567 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.93 135.93 36.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.642 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 28.8 m -130.01 131.49 45.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.52 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.473 ' N ' ' HB3' ' A' ' 72' ' ' GLU . . . 138.05 167.4 11.01 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -47.78 -43.72 28.39 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.792 2.328 . . . . 0.0 112.045 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.558 ' NE2' ' OD2' ' A' ' 31' ' ' ASP . 79.0 mt-30 -98.36 20.4 12.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.578 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.473 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 22.7 pt-20 -52.78 -43.0 65.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.591 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.462 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 91.1 mt-10 -66.67 -45.29 79.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.501 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -63.7 -49.88 71.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.532 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.555 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -56.56 -48.12 78.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.481 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.9 tp -63.72 -43.84 95.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.522 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.62 -42.44 96.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.498 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.19 -44.29 95.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.482 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 75' ' ' ALA . 45.4 t -66.65 -43.21 90.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.463 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 68.3 mt -63.22 -42.19 95.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.556 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.16 -36.27 83.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.481 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 55.5 mt -72.35 -38.66 68.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.514 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.573 179.969 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.751 HG23 ' OE2' ' A' ' 72' ' ' GLU . 78.6 t . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.853 0.359 . . . . 0.0 110.481 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.568 ' HD3' ' H ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -111.34 151.82 27.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.552 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.447 ' OE1' HD11 ' A' ' 80' ' ' ILE . 55.4 tt0 -158.96 133.16 7.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.558 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.06 138.67 37.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.617 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 93.8 t -138.15 128.2 34.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.468 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -71.23 131.29 43.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.656 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.897 HG21 ' O ' ' A' ' 58' ' ' ALA . 4.8 mm . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.532 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo . . . . . 0 N--CA 1.491 1.382 0 CA-C-O 120.838 0.266 . . . . 0.0 112.111 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.782 ' HB1' HD22 ' A' ' 52' ' ' LEU . . . -63.35 -42.33 98.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.577 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 14.6 mmt -69.0 -41.53 77.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.482 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.8 tptt -63.56 -36.7 84.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.515 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.463 HD21 ' CG2' ' A' ' 79' ' ' VAL . 1.5 mt -49.01 -46.39 43.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.46 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.477 ' CE1' ' O ' ' A' ' 46' ' ' ALA . 6.1 m-85 -54.11 -40.02 66.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.492 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -72.61 -35.92 67.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.525 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.54 HD22 ' CE1' ' A' ' 30' ' ' PHE . 57.0 mt -63.02 -44.25 96.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.54 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.48 ' O ' ' O ' ' A' ' 30' ' ' PHE . 59.7 mtp -56.7 -35.68 68.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.557 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -73.19 -44.61 59.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.508 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.69 -33.35 63.5 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.54 ' CE1' HD22 ' A' ' 26' ' ' LEU . 5.9 m-30 -102.36 148.23 25.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.844 0.354 . . . . 0.0 110.593 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.543 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 92.6 m-20 -93.91 93.84 8.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.521 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.543 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 170.2 153.53 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.491 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 68' ' ' THR . 85.8 tt0 -98.26 133.88 42.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.591 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 73.8 t -107.8 140.18 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.478 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.414 HD21 ' CD ' ' A' ' 37' ' ' ARG . 1.2 tt -139.76 132.86 29.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.647 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.576 HD22 HG22 ' A' ' 65' ' ' VAL . 48.8 mt -108.82 151.25 26.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.49 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.414 ' CD ' HD21 ' A' ' 35' ' ' LEU . 56.5 mtp180 -148.35 134.32 19.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.538 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.812 HD21 HD23 ' A' ' 55' ' ' LEU . 79.0 m-20 -93.23 156.22 16.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.638 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.427 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 62.8 t0 -57.18 -29.9 64.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.613 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -65.61 -19.46 65.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.587 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 103.05 12.09 32.61 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 83.9 m -86.45 112.58 21.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 110.548 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -79.98 106.2 11.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.594 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.653 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -94.76 71.82 3.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.568 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.433 ' C ' ' H ' ' A' ' 47' ' ' ASN . 97.3 mt-10 -38.53 120.65 0.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.566 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.477 ' O ' ' CE1' ' A' ' 24' ' ' PHE . . . -64.38 0.29 1.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.604 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.433 ' H ' ' C ' ' A' ' 45' ' ' GLU . 54.1 p30 -112.52 27.9 9.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.611 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.5 m -144.67 125.41 14.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.615 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 35.4 m -65.46 -34.65 71.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.654 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 84.5 mt -61.54 -36.6 74.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.604 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.653 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -67.72 -40.69 84.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.562 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.782 HD22 ' HB1' ' A' ' 20' ' ' ALA . 91.9 mt -60.26 -39.04 85.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.584 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.779 ' O ' HD23 ' A' ' 53' ' ' LEU . 1.2 tt -68.14 -32.28 72.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.559 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 14.9 tpt -70.23 -36.08 74.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.571 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.812 HD23 HD21 ' A' ' 38' ' ' ASN . 97.6 mt -64.46 -23.1 67.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.583 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.411 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 66.4 t0 -51.07 -36.38 39.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.552 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.427 ' C ' ' H ' ' A' ' 59' ' ' LYS . 94.5 p -75.76 -8.15 56.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.481 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.897 ' O ' HG21 ' A' ' 9' ' ' ILE . . . -77.97 32.65 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.573 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.427 ' H ' ' C ' ' A' ' 57' ' ' SER . 65.4 tttp -75.41 96.18 3.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.532 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 103.23 5.71 46.03 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.441 ' O ' ' HB ' ' A' ' 9' ' ' ILE . 87.4 mtt-85 -102.45 164.42 11.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.801 0.334 . . . . 0.0 110.581 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -99.34 143.67 29.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.565 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.401 HG21 HD13 ' A' ' 63' ' ' ILE . 15.8 pt -133.74 161.02 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.58 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -119.27 104.24 10.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.531 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.576 HG22 HD22 ' A' ' 36' ' ' LEU . 36.0 t -84.0 128.2 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.563 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -124.6 139.51 53.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.548 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.57 136.07 37.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.501 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.495 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 3.8 m -129.2 131.01 47.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.578 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.491 ' N ' ' HB3' ' A' ' 72' ' ' GLU . . . 139.83 164.66 9.98 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -47.24 -45.39 22.13 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.801 2.334 . . . . 0.0 112.145 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -99.61 20.93 13.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.599 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.751 ' OE2' HG23 ' A' ' 3' ' ' VAL . 12.4 pt-20 -51.76 -38.16 54.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.601 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -64.32 -47.91 77.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.576 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 73.9 tt0 -53.47 -50.81 64.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.51 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.707 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -55.17 -48.24 74.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.584 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.96 -45.99 91.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.498 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.15 -42.32 99.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.542 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.16 -43.75 98.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.575 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 75' ' ' ALA . 49.4 t -66.37 -43.7 91.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.601 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.447 HD11 ' OE1' ' A' ' 5' ' ' GLN . 56.4 mt -64.29 -41.24 91.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.488 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.66 -36.01 82.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.608 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.0 mt -72.43 -37.58 68.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.512 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.578 179.952 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.5 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.825 0.345 . . . . 0.0 110.454 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 46.0 pttt -125.3 176.01 7.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.59 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.594 ' HB2' HD21 ' A' ' 76' ' ' LEU . 3.9 mt-30 -166.95 135.11 2.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.466 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.28 125.85 32.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.614 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 94.2 t -131.3 131.76 63.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.523 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -76.58 131.0 38.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.608 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.74 HG21 ' O ' ' A' ' 58' ' ' ALA . 6.7 mm . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.588 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo . . . . . 0 N--CA 1.491 1.333 0 CA-C-O 120.836 0.265 . . . . 0.0 112.138 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.611 ' HB1' HD22 ' A' ' 52' ' ' LEU . . . -59.43 -45.56 91.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.546 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 48.4 mtt -63.92 -44.82 91.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.511 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -63.61 -35.75 81.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.508 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.708 HD22 HG21 ' A' ' 34' ' ' VAL . 2.1 mt -47.29 -46.82 25.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.504 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.563 ' CE1' ' O ' ' A' ' 46' ' ' ALA . 9.8 m-85 -50.04 -37.08 31.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.455 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -78.05 -34.58 50.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.552 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.7 mt -61.34 -49.53 76.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.522 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.6 ' HG3' ' N ' ' A' ' 28' ' ' GLN . 2.1 ppp? -56.62 -31.41 64.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.545 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.6 ' N ' ' HG3' ' A' ' 27' ' ' MET . 68.2 mt-30 -79.11 -43.48 23.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.55 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.74 -36.24 74.8 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.461 ' CD2' ' N ' ' A' ' 30' ' ' PHE . 4.6 m-85 -100.85 162.21 13.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.35 . . . . 0.0 110.521 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.605 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 93.2 m-20 -100.75 92.92 5.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.543 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.605 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 167.28 157.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.549 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 68' ' ' THR . 86.8 tt0 -102.83 133.14 48.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.617 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.708 HG21 HD22 ' A' ' 23' ' ' LEU . 28.5 m -108.13 142.47 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.56 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 tt -142.44 137.99 30.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.56 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.654 HD23 HG22 ' A' ' 65' ' ' VAL . 9.9 mt -109.42 150.88 27.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.574 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -150.1 137.99 20.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.625 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.616 HD21 HD23 ' A' ' 55' ' ' LEU . 88.7 m-20 -91.68 154.76 18.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.571 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.469 ' OD1' ' N ' ' A' ' 40' ' ' GLU . 49.6 p-10 -54.86 -23.7 19.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.562 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.469 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 99.1 mt-10 -70.11 -16.19 63.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.571 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.92 9.96 47.52 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.6 m -85.16 115.32 22.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.711 0.291 . . . . 0.0 110.646 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -77.6 104.6 8.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.609 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.664 ' HA ' ' HB1' ' A' ' 51' ' ' ALA . . . -91.32 64.6 5.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.54 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -41.33 120.25 1.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.61 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.563 ' O ' ' CE1' ' A' ' 24' ' ' PHE . . . -62.75 -14.49 45.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.606 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.404 ' OD1' ' C ' ' A' ' 47' ' ' ASN . 45.2 p-10 -90.47 16.68 8.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.583 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 m -137.09 122.78 19.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.589 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.465 HG22 ' H ' ' A' ' 49' ' ' VAL . 3.7 m -64.03 -34.66 70.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.566 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 84.0 mt -62.41 -36.23 73.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.5 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.664 ' HB1' ' HA ' ' A' ' 44' ' ' ALA . . . -66.67 -40.83 88.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.573 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.611 HD22 ' HB1' ' A' ' 20' ' ' ALA . 91.9 mt -60.11 -36.85 78.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.573 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.3 tp -66.42 -36.39 82.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.587 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 20.4 mmt -66.54 -36.14 81.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.611 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.616 HD23 HD21 ' A' ' 38' ' ' ASN . 96.2 mt -63.76 -25.57 68.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.662 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -52.06 -36.92 52.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.553 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.472 ' C ' ' H ' ' A' ' 59' ' ' LYS . 92.6 p -76.87 -7.04 54.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.63 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.74 ' O ' HG21 ' A' ' 9' ' ' ILE . . . -75.99 29.99 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.58 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.472 ' H ' ' C ' ' A' ' 57' ' ' SER . 29.9 pttt -74.74 94.09 2.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.506 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 104.96 3.21 42.37 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.4 mtp85 -101.14 165.54 11.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.837 0.351 . . . . 0.0 110.564 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -100.51 142.79 31.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.599 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 21.5 pt -130.4 162.87 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.535 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -122.03 104.43 9.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.566 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.654 HG22 HD23 ' A' ' 36' ' ' LEU . 21.0 t -85.07 124.33 39.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.547 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -121.29 140.35 52.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.623 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.51 132.8 33.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.509 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.576 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 29.4 m -122.53 131.19 53.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.569 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.478 ' HA3' ' CB ' ' A' ' 32' ' ' ALA . . . 139.47 163.94 9.7 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -47.36 -46.94 18.72 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.844 2.363 . . . . 0.0 112.158 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.53 ' O ' ' N ' ' A' ' 74' ' ' GLU . 76.9 mt-30 -92.65 5.99 48.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.606 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.475 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 23.4 pt-20 -34.78 -37.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.553 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.479 ' HG3' ' H ' ' A' ' 74' ' ' GLU . 2.2 pt-20 -65.74 -47.27 75.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.606 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.53 ' N ' ' O ' ' A' ' 71' ' ' GLN . 35.2 tp10 -55.71 -52.46 63.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.582 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.498 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -54.76 -46.5 74.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.463 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.594 HD21 ' HB2' ' A' ' 5' ' ' GLN . 57.5 tp -65.47 -43.16 91.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.532 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.73 -42.39 98.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.584 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.47 -43.22 99.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.511 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.546 ' CG2' HD21 ' A' ' 23' ' ' LEU . 85.7 t -67.1 -41.75 87.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.513 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 47.3 mt -67.01 -38.89 82.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.55 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.35 -37.36 85.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.467 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.3 mt -68.34 -38.88 81.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.454 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.571 ' CD2' ' N ' ' A' ' 83' ' ' PHE . 6.7 m-30 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.521 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.9 ptp . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.719 HG22 ' OG1' ' A' ' 68' ' ' THR . 74.6 p -84.09 159.0 21.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.568 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.7 t -133.21 119.21 34.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.586 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 20.7 pttp -125.52 174.15 8.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.557 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.646 ' HB2' HD21 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -162.9 131.69 4.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.559 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.45 128.18 33.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.541 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 89.1 t -129.38 124.28 59.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.562 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -80.67 126.63 31.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.662 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.5 mm -89.56 105.28 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.559 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.406 ' H ' HG22 ' A' ' 10' ' ' THR . 0.1 OUTLIER -83.25 57.22 3.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.583 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 61.34 28.4 17.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.605 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.52 ' HG2' ' H ' ' A' ' 14' ' ' GLY . 86.0 tttt -169.19 96.56 0.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.521 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.511 HD22 ' CZ ' ' A' ' 83' ' ' PHE . 0.8 OUTLIER -60.38 -4.34 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.541 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.52 ' H ' ' HG2' ' A' ' 12' ' ' LYS . . . 144.0 -157.87 27.23 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 98.3 mtp -70.15 90.19 0.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.806 0.336 . . . . 0.0 110.558 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 32.2 m80 57.53 -137.06 0.98 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.551 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -103.1 6.25 38.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.525 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.535 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 4.4 mmt85 -56.33 -49.68 92.0 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.535 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.535 ' CD ' ' N ' ' A' ' 18' ' ' ARG . 52.8 Cg_exo -47.4 -54.1 5.55 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.85 2.367 . . . . 0.0 112.086 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.424 ' HB1' HD22 ' A' ' 52' ' ' LEU . . . -59.86 -45.72 91.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.545 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 94.0 mtp -67.07 -41.62 86.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.515 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.3 mmtm -62.74 -37.76 87.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.502 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.493 HD21 ' CG2' ' A' ' 79' ' ' VAL . 2.0 mt -49.85 -46.21 51.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.537 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.518 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 13.2 m-85 -55.72 -38.83 70.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.55 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -73.87 -35.66 64.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.505 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.668 HD22 ' CE1' ' A' ' 30' ' ' PHE . 85.7 mt -67.16 -43.31 82.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.469 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 5.0 ttt -55.59 -28.78 57.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.546 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 30.6 mm100 -84.51 -33.73 23.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.562 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.12 -36.15 32.33 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.668 ' CE1' HD22 ' A' ' 26' ' ' LEU . 7.5 m-85 -100.95 160.19 14.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.753 0.311 . . . . 0.0 110.558 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.532 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 68.2 t0 -103.26 93.05 4.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.542 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.532 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 170.97 158.09 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.603 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -102.45 126.16 49.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.541 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 91.5 t -103.68 135.07 43.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.556 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.1 tt -136.36 137.36 40.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.561 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.463 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 1.4 mp -108.64 150.13 27.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.537 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.497 HH11 ' CG ' ' A' ' 43' ' ' GLU . 17.7 ttm180 -147.39 135.59 21.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.574 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.579 HD21 HD23 ' A' ' 55' ' ' LEU . 88.1 m-20 -91.78 156.48 17.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.56 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -52.75 -28.22 21.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.59 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.632 ' OE2' ' NH2' ' A' ' 61' ' ' ARG . 44.3 mt-10 -67.73 -11.16 57.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.567 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.71 11.63 58.98 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 m -84.35 117.21 23.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.827 0.346 . . . . 0.0 110.552 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.497 ' CG ' HH11 ' A' ' 37' ' ' ARG . 96.3 mt-10 -77.93 103.24 7.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.581 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.651 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.27 65.34 7.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.58 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -40.94 120.53 1.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.553 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.518 ' O ' ' CZ ' ' A' ' 24' ' ' PHE . . . -62.84 -8.72 7.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.547 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.406 ' OD1' ' C ' ' A' ' 47' ' ' ASN . 47.5 p30 -100.44 26.7 6.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.556 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 t -145.09 124.23 12.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.518 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.5 m -63.98 -35.07 72.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.618 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 85.1 mt -61.96 -36.46 74.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.614 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.651 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -66.11 -42.43 89.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.545 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.424 HD22 ' HB1' ' A' ' 20' ' ' ALA . 43.4 tp -58.41 -38.48 77.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.547 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 7.2 mt -65.33 -36.76 85.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.546 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 22.8 mmt -67.77 -37.76 82.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.545 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.579 HD23 HD21 ' A' ' 38' ' ' ASN . 96.5 mt -62.52 -34.36 76.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.588 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -54.07 -34.2 59.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.567 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 84.7 p -77.49 -6.54 53.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.616 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -82.87 29.36 0.46 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.549 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -69.37 97.27 0.95 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.616 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.88 4.98 39.0 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.632 ' NH2' ' OE2' ' A' ' 40' ' ' GLU . 29.8 mtp180 -106.23 164.92 11.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.796 0.331 . . . . 0.0 110.602 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -98.7 143.67 28.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.62 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.5 pt -130.89 163.87 35.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.569 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -124.86 101.72 7.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.52 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 21.3 t -81.63 126.63 39.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.546 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -119.38 138.5 53.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.568 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.07 131.23 32.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.571 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.719 ' OG1' HG22 ' A' ' 2' ' ' THR . 54.8 m -123.9 129.78 51.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.501 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.46 ' O ' ' HB3' ' A' ' 72' ' ' GLU . . . 141.67 162.18 9.06 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -47.91 -45.21 25.34 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.817 2.344 . . . . 0.0 112.08 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 74' ' ' GLU . 77.1 mt-30 -94.14 6.84 47.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.527 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.46 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 21.1 pt-20 -38.25 -35.8 0.19 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.53 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -64.59 -49.17 72.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.522 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 71' ' ' GLN . 75.5 tt0 -57.41 -52.36 65.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.52 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.677 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -54.43 -49.77 69.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.496 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.646 HD21 ' HB2' ' A' ' 5' ' ' GLN . 56.6 tp -64.27 -44.66 91.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.463 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.37 -42.44 99.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.445 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.19 -44.4 97.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.462 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 75' ' ' ALA . 51.3 t -66.02 -43.34 92.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.452 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 51.3 mt -64.07 -41.56 92.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.443 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.81 -36.71 84.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.486 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 65.0 mt -72.61 -39.75 67.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.448 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 83' ' ' PHE . 6.0 m-30 -67.84 -31.37 71.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.553 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.522 ' O ' ' OG ' ' A' ' 85' ' ' SER . 36.8 t-20 -83.04 -3.59 57.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.574 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.522 ' OG ' ' O ' ' A' ' 84' ' ' ASN . 8.1 p . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.568 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.495 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 67.1 ttp . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.738 HG22 ' OG1' ' A' ' 68' ' ' THR . 80.6 p -77.39 156.68 31.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.608 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.578 ' O ' HG13 ' A' ' 3' ' ' VAL . 8.9 p -139.73 121.88 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.467 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.0 pttt -124.59 172.0 9.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.564 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.685 ' HB2' HD21 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -164.05 130.57 3.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.504 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.44 128.19 33.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.624 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.8 t -131.47 126.33 58.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.517 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.2 mp0 -69.71 136.64 51.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.571 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.843 HG21 ' O ' ' A' ' 58' ' ' ALA . 3.4 mm -88.1 118.91 34.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.585 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.669 ' O ' HG23 ' A' ' 10' ' ' THR . 11.4 t -137.96 115.38 11.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.464 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.848 ' OD1' ' O ' ' A' ' 11' ' ' ASN . 57.4 t-20 77.27 15.44 1.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.488 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.768 ' HB2' ' O ' ' A' ' 11' ' ' ASN . 4.9 tttp 99.77 -179.36 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.541 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.6 mt -54.98 -1.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.528 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.566 ' H ' ' C ' ' A' ' 12' ' ' LYS . . . 160.36 -170.93 36.47 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 76.7 mtm -57.37 -39.14 75.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.835 0.35 . . . . 0.0 110.538 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.931 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 74.6 m80 -142.36 -180.0 6.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.502 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.18 -1.39 23.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.564 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.531 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 17.8 mtt85 -58.59 -48.98 95.9 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.551 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.931 ' HD2' ' O ' ' A' ' 16' ' ' HIS . 52.1 Cg_exo -47.79 -57.52 2.28 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.826 2.351 . . . . 0.0 112.118 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.581 ' HB1' HD11 ' A' ' 52' ' ' LEU . . . -60.29 -43.97 95.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.617 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 57.8 mtt -67.67 -41.13 84.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.605 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -61.16 -37.89 84.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.516 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.442 HD21 ' CG2' ' A' ' 79' ' ' VAL . 1.5 mt -48.92 -45.79 42.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.562 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -57.21 -40.27 77.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.506 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -72.87 -34.91 67.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.543 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.512 ' HG ' ' CE1' ' A' ' 30' ' ' PHE . 0.9 OUTLIER -69.05 -41.46 77.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.503 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.481 ' SD ' ' O ' ' A' ' 32' ' ' ALA . 14.3 mmm -53.82 -33.29 55.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.504 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -79.47 -39.66 31.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.539 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.95 -41.58 87.49 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.588 ' CD2' ' N ' ' A' ' 30' ' ' PHE . 5.3 m-30 -95.62 166.15 11.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.792 0.33 . . . . 0.0 110.548 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.512 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 13.7 m-20 -108.13 92.63 4.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.547 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 172.53 153.34 0.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.619 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 68' ' ' THR . 84.0 tt0 -98.33 135.3 40.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.555 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 83.6 t -107.73 138.28 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.521 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.442 HD21 ' NE ' ' A' ' 37' ' ' ARG . 0.9 OUTLIER -137.18 129.16 29.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.589 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.646 ' CD2' HG13 ' A' ' 65' ' ' VAL . 20.4 mt -106.29 152.83 23.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.591 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.442 ' NE ' HD21 ' A' ' 35' ' ' LEU . 92.4 mtt180 -146.91 133.84 20.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.605 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.592 HD21 ' HB2' ' A' ' 58' ' ' ALA . 4.2 t-20 -89.27 152.88 21.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.48 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.426 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 32.8 p-10 -52.51 -30.58 31.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.625 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -70.9 -4.78 26.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.528 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.22 18.92 58.31 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.5 m -85.41 110.53 19.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 110.545 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -71.72 104.58 3.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.552 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.649 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -100.4 77.2 1.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.512 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.432 ' C ' ' H ' ' A' ' 47' ' ' ASN . 96.4 mt-10 -40.25 121.44 1.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.578 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.436 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . . . -66.58 3.78 0.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.558 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.432 ' H ' ' C ' ' A' ' 45' ' ' GLU . 76.9 m-20 -119.81 28.74 7.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.518 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.8 t -143.87 126.96 16.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.577 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.404 HG22 ' H ' ' A' ' 49' ' ' VAL . 3.2 m -65.46 -32.65 59.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.547 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 83.6 mt -62.67 -37.5 79.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.562 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.649 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -65.71 -42.19 91.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.512 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.581 HD11 ' HB1' ' A' ' 20' ' ' ALA . 4.3 tp -58.05 -38.44 76.3 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.563 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.6 mt -59.24 -39.7 83.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.568 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 56.7 mtt -67.75 -40.32 84.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.499 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.509 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 91.2 mt -61.73 -31.35 71.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.547 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -49.69 -39.26 36.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.618 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.495 ' C ' ' H ' ' A' ' 59' ' ' LYS . 90.8 p -74.21 -9.24 58.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.633 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.843 ' O ' HG21 ' A' ' 9' ' ' ILE . . . -74.52 29.29 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.527 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.495 ' H ' ' C ' ' A' ' 57' ' ' SER . 88.8 tttt -70.34 96.33 1.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.469 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 101.0 9.19 46.09 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.46 ' O ' ' HB ' ' A' ' 9' ' ' ILE . 18.1 mmt180 -104.38 171.89 7.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.784 0.326 . . . . 0.0 110.553 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -106.51 141.66 37.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.638 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.4 HG21 HD13 ' A' ' 63' ' ' ILE . 21.9 pt -131.54 164.28 34.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.54 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -124.02 103.05 8.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.563 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.646 HG13 ' CD2' ' A' ' 36' ' ' LEU . 21.4 t -84.04 131.96 32.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.592 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -127.05 140.13 52.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.593 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -135.28 135.34 40.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.568 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.738 ' OG1' HG22 ' A' ' 2' ' ' THR . 31.3 m -129.1 131.25 47.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.575 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.45 ' N ' ' HB3' ' A' ' 72' ' ' GLU . . . 140.61 165.89 10.48 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -47.61 -42.95 29.02 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.876 2.384 . . . . 0.0 112.104 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -102.24 23.85 11.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.595 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.495 ' OE1' ' O ' ' A' ' 1' ' ' MET . 18.2 pt-20 -52.68 -39.15 61.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.611 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -65.07 -48.2 74.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.613 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -56.48 -48.24 77.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.6 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.696 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -57.24 -46.51 82.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.575 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.685 HD21 ' HB2' ' A' ' 5' ' ' GLN . 44.7 tp -64.22 -44.77 90.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.526 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.93 -42.39 98.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.592 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.76 -43.18 99.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.616 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 75' ' ' ALA . 42.0 t -67.59 -44.76 86.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.561 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 45.0 mt -63.35 -41.35 92.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.505 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.88 -34.73 78.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.485 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -72.98 -39.33 66.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.506 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -67.76 -32.64 73.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.552 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -86.4 -6.53 58.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.559 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.1 t . . . . . 0 C--O 1.219 -0.539 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.648 179.966 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.0 mtm . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.862 HG22 ' OG1' ' A' ' 68' ' ' THR . 18.0 p -113.41 138.52 49.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.661 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.775 ' O ' HD11 ' A' ' 76' ' ' LEU . 88.7 t -136.35 121.92 28.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.506 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.535 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 8.6 pttm -120.87 162.36 19.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.633 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.535 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 60.2 mt-30 -157.1 127.72 6.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.493 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.77 127.57 32.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.543 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 69.7 t -131.68 133.22 61.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.55 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -74.73 138.18 42.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.577 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.885 HG21 ' O ' ' A' ' 58' ' ' ALA . 15.2 mm -86.59 120.18 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.567 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.712 ' O ' ' HB3' ' A' ' 11' ' ' ASN . 35.7 m -137.86 97.39 3.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.505 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.712 ' HB3' ' O ' ' A' ' 10' ' ' THR . 47.1 t30 85.36 26.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.536 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.671 ' HB2' ' O ' ' A' ' 11' ' ' ASN . 56.6 mttm 86.94 -161.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.549 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.534 ' O ' ' HG2' ' A' ' 19' ' ' PRO . 63.3 mt -80.7 16.21 1.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.531 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 133.07 -123.4 3.44 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.584 ' O ' ' N ' ' A' ' 17' ' ' ALA . 67.4 mtt -93.71 118.41 31.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.824 0.345 . . . . 0.0 110.591 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.484 ' ND1' ' N ' ' A' ' 17' ' ' ALA . 19.7 t-80 53.19 -80.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.506 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.584 ' N ' ' O ' ' A' ' 15' ' ' MET . . . -170.94 3.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.51 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.578 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 10.5 mtm180 -41.47 -46.57 8.44 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.527 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.581 ' HD2' ' C ' ' A' ' 17' ' ' ALA . 51.8 Cg_exo -47.92 -46.36 22.01 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.78 2.32 . . . . 0.0 112.052 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.578 ' HB1' HD22 ' A' ' 52' ' ' LEU . . . -61.09 -49.1 78.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.53 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 59.2 mtt -64.09 -42.48 96.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.477 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -63.43 -37.21 86.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.494 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.612 HD21 ' CG2' ' A' ' 79' ' ' VAL . 2.6 mt -54.3 -44.34 71.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.42 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -55.72 -39.98 71.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.458 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -72.09 -35.76 69.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.455 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.525 HD22 ' CE1' ' A' ' 30' ' ' PHE . 65.3 mt -63.54 -43.35 97.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.549 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.416 ' O ' ' O ' ' A' ' 30' ' ' PHE . 82.6 mtp -57.39 -35.72 70.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.529 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -74.1 -42.14 60.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.501 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.53 -35.42 59.48 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.525 ' CE1' HD22 ' A' ' 26' ' ' LEU . 6.8 m-30 -99.7 154.54 18.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.775 0.321 . . . . 0.0 110.537 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.828 ' O ' ' HD2' ' A' ' 70' ' ' PRO . 82.3 m-20 -100.24 92.59 5.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.569 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.713 ' HB1' ' O ' ' A' ' 68' ' ' THR . . . 171.75 151.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.565 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 67' ' ' ALA . 67.6 tt0 -96.29 133.59 40.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.595 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.462 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 61.4 t -108.54 144.64 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.59 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.405 ' CD2' ' NH1' ' A' ' 37' ' ' ARG . 2.1 tt -145.93 130.71 18.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.63 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.59 HD23 HG22 ' A' ' 65' ' ' VAL . 1.4 mp -115.15 154.26 29.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.5 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.405 ' NH1' ' CD2' ' A' ' 35' ' ' LEU . 11.3 ptp85 -157.84 145.72 18.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.566 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.463 HD21 HD23 ' A' ' 55' ' ' LEU . 74.6 m-20 -92.15 157.75 16.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.55 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' A' ' 40' ' ' GLU . 52.1 p-10 -60.25 -23.9 64.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.593 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.474 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 98.2 mt-10 -67.19 -20.15 65.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.585 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.16 7.08 29.15 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.8 m -84.03 112.42 20.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.743 0.306 . . . . 0.0 110.5 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -84.03 107.57 16.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.537 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.678 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -95.15 72.96 3.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.59 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.492 ' C ' ' H ' ' A' ' 47' ' ' ASN . 94.6 mt-10 -37.14 121.03 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.585 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 34' ' ' VAL . . . -60.35 -1.12 0.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.519 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.492 ' H ' ' C ' ' A' ' 45' ' ' GLU . 50.5 t30 -121.76 46.18 2.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.583 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.5 t -156.41 126.39 6.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.564 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 35.9 m -66.35 -36.85 78.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.625 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 83.8 mt -61.39 -34.94 63.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.537 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.678 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -66.72 -39.66 88.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.581 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.578 HD22 ' HB1' ' A' ' 20' ' ' ALA . 49.4 tp -59.48 -40.37 86.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.549 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.6 mt -64.29 -37.44 87.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.542 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 23.0 mmt -66.36 -37.9 86.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.543 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.488 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 96.1 mt -63.6 -23.84 67.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.491 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -55.31 -38.11 68.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.584 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 75.6 m -77.99 0.62 23.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.598 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.885 ' O ' HG21 ' A' ' 9' ' ' ILE . . . -88.08 31.03 0.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.564 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.5 pttm -75.22 95.77 3.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.539 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 104.96 6.1 40.34 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 59.7 mtp85 -104.22 161.04 14.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.75 0.31 . . . . 0.0 110.572 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -94.96 144.04 25.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.564 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.408 ' CD1' HD11 ' A' ' 9' ' ' ILE . 46.7 pt -132.08 165.19 32.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.524 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -125.24 102.56 7.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.568 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.59 HG22 HD23 ' A' ' 36' ' ' LEU . 6.3 t -83.2 132.15 32.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.549 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -127.76 139.85 52.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.578 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.404 ' HA ' ' O ' ' A' ' 33' ' ' GLU . . . -138.94 140.58 38.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.589 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.862 ' OG1' HG22 ' A' ' 2' ' ' THR . 51.4 m -129.66 140.13 51.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.586 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 132.73 -178.95 17.72 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.828 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 48.2 Cg_endo -72.62 -25.89 17.02 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.836 2.357 . . . . 0.0 112.088 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -112.66 15.42 19.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.506 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.449 ' OE1' HG23 ' A' ' 3' ' ' VAL . 12.7 pt-20 -51.8 -42.65 62.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.606 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -58.3 -47.46 83.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.554 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -56.48 -51.32 68.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.53 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.456 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -50.75 -47.66 59.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.572 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.775 HD11 ' O ' ' A' ' 3' ' ' VAL . 92.0 mt -65.56 -41.11 93.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.591 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.84 -43.31 94.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.572 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.52 -43.29 97.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.566 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.612 ' CG2' HD21 ' A' ' 23' ' ' LEU . 65.7 t -68.78 -44.98 81.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.534 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 47.1 mt -64.96 -40.52 89.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.453 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.85 -34.9 78.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.537 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.7 mt -72.85 -37.64 67.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.5 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.536 ' CD1' ' N ' ' A' ' 83' ' ' PHE . 7.3 m-30 -70.36 -34.13 72.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.52 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -71.71 -13.41 61.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.585 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.8 t . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.534 -179.957 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.9 tpt . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.75 HG22 ' OG1' ' A' ' 68' ' ' THR . 74.4 p -85.34 157.18 20.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.611 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' ' 67' ' ' ALA . 24.8 m -126.15 121.04 58.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.517 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.2 mttp -120.37 143.29 48.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.708 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.483 ' OE1' HD23 ' A' ' 76' ' ' LEU . 68.2 mt-30 -145.3 135.12 23.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.533 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.03 126.47 39.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.565 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.4 p -130.07 136.33 59.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.58 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -75.89 129.91 37.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.542 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.598 HG21 ' O ' ' A' ' 58' ' ' ALA . 4.2 mm -82.73 117.1 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.57 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.671 ' O ' ' HB3' ' A' ' 11' ' ' ASN . 43.1 m -131.46 102.87 6.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.507 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.671 ' HB3' ' O ' ' A' ' 10' ' ' THR . 46.4 t30 79.78 37.47 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.51 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.606 ' HB2' ' O ' ' A' ' 11' ' ' ASN . 88.3 mttt 80.8 -174.15 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.525 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.698 HD12 ' N ' ' A' ' 13' ' ' LEU . 7.6 mp -71.4 16.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.545 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.507 ' H ' ' C ' ' A' ' 12' ' ' LYS . . . 147.9 -173.53 27.92 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 63.1 mtt -58.16 -36.06 72.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.818 0.342 . . . . 0.0 110.564 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.853 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 75.2 m80 -143.08 -177.27 5.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.511 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.59 3.67 7.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.558 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.512 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 12.0 mmm-85 -55.29 -50.17 88.19 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.613 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.853 ' HD2' ' O ' ' A' ' 16' ' ' HIS . 53.7 Cg_exo -47.09 -58.51 1.69 Allowed 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.837 2.358 . . . . 0.0 112.096 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.461 ' HB1' HD22 ' A' ' 52' ' ' LEU . . . -61.19 -40.81 95.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.574 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 56.0 mtt -68.57 -42.53 78.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.562 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -59.21 -40.24 85.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.549 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.444 HD21 ' CG2' ' A' ' 79' ' ' VAL . 3.7 mt -47.58 -43.14 25.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.501 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.529 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 10.1 m-85 -57.51 -42.7 83.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.503 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -72.06 -35.6 69.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.441 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.29 -40.76 77.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.514 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.483 ' SD ' ' O ' ' A' ' 32' ' ' ALA . 13.0 mmm -53.91 -37.03 63.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.501 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -72.75 -39.07 67.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.522 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.55 -35.31 32.99 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.507 ' CD2' ' N ' ' A' ' 30' ' ' PHE . 9.0 m-30 -95.72 136.23 36.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.725 0.297 . . . . 0.0 110.574 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.857 ' O ' ' HD2' ' A' ' 70' ' ' PRO . 83.3 m-20 -88.87 94.33 9.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.636 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.649 ' HB1' ' O ' ' A' ' 68' ' ' THR . . . 170.75 152.57 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.6 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' ' 67' ' ' ALA . 40.3 tp10 -95.39 129.83 42.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.582 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.8 m -106.25 144.83 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.592 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.2 tt -147.07 133.6 19.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.551 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.623 HD23 HG22 ' A' ' 65' ' ' VAL . 9.6 mt -106.95 152.25 24.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.574 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 43.7 mtp85 -146.79 132.02 18.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.569 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.497 ' HA ' HG22 ' A' ' 63' ' ' ILE . 7.4 t-20 -86.16 157.55 19.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.516 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -50.22 -37.09 33.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.593 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -68.07 0.47 3.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.565 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.57 22.33 62.42 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.1 m -87.6 111.67 21.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.883 0.373 . . . . 0.0 110.55 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -71.88 104.89 3.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.609 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.636 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -94.41 68.79 3.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.468 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -44.95 120.48 2.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.539 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.529 ' O ' ' CZ ' ' A' ' 24' ' ' PHE . . . -62.47 -38.17 88.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.562 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.44 ' CG ' ' O ' ' A' ' 47' ' ' ASN . 14.4 t-20 -64.34 1.12 0.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.543 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.456 ' H ' ' C ' ' A' ' 46' ' ' ALA . 11.2 t -122.39 120.76 34.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.561 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.453 HG22 ' H ' ' A' ' 49' ' ' VAL . 3.9 m -65.06 -30.94 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.536 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 79.0 mt -61.6 -36.05 70.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.644 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.636 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -68.2 -40.81 82.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.517 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 52' ' ' LEU . 80.1 mt -58.26 -39.88 80.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.536 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 68.5 tp -66.65 -35.85 81.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.587 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 15.0 tpt -66.66 -35.64 80.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.561 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.474 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 96.1 mt -65.87 -24.0 66.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.515 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -50.8 -37.07 40.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.509 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.407 ' C ' ' H ' ' A' ' 59' ' ' LYS . 96.8 p -77.84 -7.72 57.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.548 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.598 ' O ' HG21 ' A' ' 9' ' ' ILE . . . -79.88 29.68 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.554 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.407 ' H ' ' C ' ' A' ' 57' ' ' SER . 30.2 ttpt -74.21 97.83 3.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.583 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 104.15 8.81 38.06 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 54.3 mtt85 -106.21 170.76 7.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.764 0.316 . . . . 0.0 110.58 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -105.2 139.46 39.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.557 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.497 HG22 ' HA ' ' A' ' 38' ' ' ASN . 31.0 pt -127.94 163.38 31.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.554 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -121.35 107.13 12.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.625 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.623 HG22 HD23 ' A' ' 36' ' ' LEU . 21.8 t -87.0 123.46 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.556 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -121.07 137.5 54.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.59 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.495 ' CB ' HD13 ' A' ' 76' ' ' LEU . . . -139.45 138.19 36.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.576 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.75 ' OG1' HG22 ' A' ' 2' ' ' THR . 23.1 m -126.46 138.41 53.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.569 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.431 ' O ' ' OE2' ' A' ' 72' ' ' GLU . . . 136.66 -177.9 19.3 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.857 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 48.0 Cg_endo -72.36 -29.48 13.82 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.88 2.386 . . . . 0.0 112.097 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.477 ' OE1' ' N ' ' A' ' 31' ' ' ASP . 81.8 mt-30 -107.84 10.4 28.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.491 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.431 ' OE2' ' O ' ' A' ' 69' ' ' GLY . 13.1 pt-20 -47.44 -44.4 24.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.54 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.446 ' HG3' ' H ' ' A' ' 74' ' ' GLU . 3.1 pt-20 -58.79 -44.0 90.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.538 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.446 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 87.0 mt-10 -58.91 -47.66 84.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.573 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.629 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -54.56 -45.99 73.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.546 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.495 HD13 ' CB ' ' A' ' 67' ' ' ALA . 3.4 mp -65.16 -43.56 91.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.527 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.77 -44.08 97.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.516 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.85 -43.41 96.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.503 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 75' ' ' ALA . 59.3 t -69.32 -44.21 80.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.47 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 51.8 mt -62.53 -42.22 95.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.45 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.68 -34.99 78.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.471 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.4 ' HA ' HD22 ' A' ' 82' ' ' LEU . 2.0 mm? -73.11 -40.53 64.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.513 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.454 ' CZ ' ' HB3' ' A' ' 13' ' ' LEU . 3.0 m-85 -68.66 -32.61 72.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.542 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -86.52 -1.7 57.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.547 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 53.2 m . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.526 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.9 mtt . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.407 HG23 ' OG1' ' A' ' 68' ' ' THR . 0.1 OUTLIER 62.87 129.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.509 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.497 ' O ' ' CD1' ' A' ' 76' ' ' LEU . 99.3 t -137.38 116.31 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.602 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.675 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 1.4 pttm -117.61 169.44 9.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.61 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.675 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 57.0 mt-30 -163.22 130.09 3.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.509 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.71 125.3 29.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.613 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 94.0 t -128.77 125.8 63.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.557 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -72.55 133.88 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.602 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.773 HG21 ' O ' ' A' ' 58' ' ' ALA . 4.0 mm -84.06 120.05 34.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.583 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.678 ' O ' ' HB3' ' A' ' 11' ' ' ASN . 54.5 m -137.0 106.14 6.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.568 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.83 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 55.5 t30 85.45 12.14 0.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.572 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.83 ' HB2' ' O ' ' A' ' 11' ' ' ASN . 10.9 tttp 101.49 179.29 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.573 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 69.7 mt -53.0 -4.7 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.465 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.54 ' H ' ' C ' ' A' ' 12' ' ' LYS . . . 158.19 -144.46 10.47 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 94.8 mtp -56.49 -73.82 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.832 0.349 . . . . 0.0 110.549 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.562 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 76.8 m80 -130.04 41.25 3.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.539 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.562 ' C ' ' HD2' ' A' ' 19' ' ' PRO . . . 72.48 -4.28 2.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.515 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.574 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 2.8 mtt85 -41.57 -46.84 8.99 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.562 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 18' ' ' ARG . 53.0 Cg_exo -47.54 -42.78 28.76 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.736 2.291 . . . . 0.0 112.123 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.574 ' HB1' HD21 ' A' ' 52' ' ' LEU . . . -61.75 -48.68 79.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.462 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 17.0 mmt -64.49 -40.56 95.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.536 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -65.96 -35.73 81.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.513 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.505 HD21 ' CG2' ' A' ' 79' ' ' VAL . 2.1 mt -49.79 -45.94 50.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.552 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.51 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 10.7 m-85 -54.35 -38.41 66.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.49 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -74.36 -34.9 63.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.569 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.515 HD22 ' CE1' ' A' ' 30' ' ' PHE . 69.3 mt -64.39 -44.0 92.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.506 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 74.3 mtp -56.51 -33.5 66.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.531 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -78.36 -43.09 28.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.553 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.31 -39.69 81.39 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.574 ' CD2' ' N ' ' A' ' 30' ' ' PHE . 5.0 m-30 -97.7 165.87 11.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.816 0.341 . . . . 0.0 110.602 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.548 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 89.0 m-20 -108.57 94.79 5.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.545 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.548 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 169.96 153.26 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.559 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 68' ' ' THR . 86.2 tt0 -97.57 130.99 44.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.643 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 83.7 t -107.75 137.8 37.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.48 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.522 HD21 ' HE ' ' A' ' 37' ' ' ARG . 1.4 tt -138.77 132.6 30.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.65 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.518 HD11 ' HB2' ' A' ' 46' ' ' ALA . 1.6 mp -106.99 154.05 21.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.561 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.522 ' HE ' HD21 ' A' ' 35' ' ' LEU . 99.7 mtt180 -143.18 135.11 26.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.62 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.465 HD21 ' HB2' ' A' ' 58' ' ' ALA . 7.2 t-20 -90.91 149.38 21.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.572 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.85 -30.82 10.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.502 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -70.72 -8.1 49.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.537 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.79 11.09 59.46 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.9 m -81.27 113.12 19.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.822 0.344 . . . . 0.0 110.516 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -73.35 102.76 3.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.574 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.679 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -91.3 62.88 4.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.587 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.507 ' C ' ' H ' ' A' ' 47' ' ' ASN . 37.6 mt-10 -40.24 120.21 1.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.604 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.518 ' HB2' HD11 ' A' ' 36' ' ' LEU . . . -58.98 -1.81 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.547 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.507 ' H ' ' C ' ' A' ' 45' ' ' GLU . 36.3 p30 -111.19 41.47 1.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.577 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.26 126.61 5.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.566 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.412 HG22 ' H ' ' A' ' 49' ' ' VAL . 3.4 m -65.76 -35.11 74.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.625 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.424 ' O ' ' SD ' ' A' ' 54' ' ' MET . 84.2 mt -64.08 -34.8 71.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.608 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.679 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -65.54 -45.32 83.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.539 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.574 HD21 ' HB1' ' A' ' 20' ' ' ALA . 4.4 mp -58.89 -36.52 74.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.555 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.3 mt -68.45 -35.92 78.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.571 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.424 ' SD ' ' O ' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -66.17 -37.75 86.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.517 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.477 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 96.8 mt -64.77 -23.36 67.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.555 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 56' ' ' ASP . 65.3 t0 -54.36 -36.69 64.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.611 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.5 m -78.67 1.71 21.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.51 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.773 ' O ' HG21 ' A' ' 9' ' ' ILE . . . -89.32 30.19 1.01 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.662 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -72.33 96.68 1.9 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.6 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 103.33 8.33 41.27 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.426 ' O ' ' HB ' ' A' ' 9' ' ' ILE . 27.2 mmm-85 -104.94 177.09 4.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.817 0.342 . . . . 0.0 110.584 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 26.7 pt20 -110.89 146.28 36.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.553 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.403 HG21 HD13 ' A' ' 63' ' ' ILE . 23.4 pt -134.12 160.68 41.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.552 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -120.21 100.2 7.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.625 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 38.3 t -81.79 128.3 38.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.589 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -121.24 136.74 54.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.535 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' A' ' 33' ' ' GLU . . . -134.89 133.08 39.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.556 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 33' ' ' GLU . 32.2 m -128.64 130.12 46.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.556 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.451 ' N ' ' HB3' ' A' ' 72' ' ' GLU . . . 141.71 167.18 11.14 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -47.64 -43.35 28.42 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.828 2.352 . . . . 0.0 112.153 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -102.37 24.71 9.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.58 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.451 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 18.9 pt-20 -53.03 -40.77 64.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.549 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.401 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 87.0 mt-10 -65.64 -46.48 79.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.604 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -56.63 -49.41 75.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.541 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.559 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -54.99 -46.69 75.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.582 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.497 ' CD1' ' O ' ' A' ' 3' ' ' VAL . 1.7 mt -65.35 -43.27 91.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.571 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.08 -43.12 95.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.533 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.78 -43.57 98.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.579 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 75' ' ' ALA . 58.2 t -67.98 -44.09 85.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.501 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 55.5 mt -64.48 -42.01 93.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.529 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.6 -34.95 78.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.491 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.3 mt -74.06 -38.62 63.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.532 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -68.44 -32.87 73.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.531 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -80.32 -10.1 59.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.531 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.58 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.415 ' O ' HG23 ' A' ' 68' ' ' THR . 4.6 mtt . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.746 HG22 ' OG1' ' A' ' 68' ' ' THR . 81.7 p -138.66 158.65 43.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.574 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 74.4 t -129.63 117.07 40.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.492 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 51.2 pttt -126.02 175.32 7.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.675 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -169.13 135.27 1.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.437 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.03 130.27 35.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.611 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 74.4 t -134.36 129.01 52.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.574 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -70.51 128.03 34.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.556 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.4 ' HB ' ' O ' ' A' ' 61' ' ' ARG . 5.8 mm -79.9 117.09 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.639 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.701 ' O ' ' HB3' ' A' ' 11' ' ' ASN . 52.4 m -130.08 106.08 8.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.475 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.701 ' HB3' ' O ' ' A' ' 10' ' ' THR . 55.1 t30 85.76 26.88 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.483 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.696 ' HB2' ' O ' ' A' ' 11' ' ' ASN . 55.0 mttp 85.13 -154.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.519 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.852 ' HG ' ' HB2' ' A' ' 20' ' ' ALA . 2.5 mm? -51.08 -14.59 0.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.646 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.48 ' O ' ' ND2' ' A' ' 11' ' ' ASN . . . 146.21 -106.52 0.38 Allowed Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.496 ' SD ' ' NH1' ' A' ' 18' ' ' ARG . 56.0 ttm -64.43 -35.55 81.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.831 0.348 . . . . 0.0 110.575 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.48 ' ND1' ' N ' ' A' ' 17' ' ' ALA . 16.0 t-80 176.21 -77.53 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.548 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.48 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -147.27 -10.01 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.52 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.547 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 9.5 mtm180 -58.13 -48.46 97.02 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.525 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 18' ' ' ARG . 53.5 Cg_exo -47.41 -54.63 4.83 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.857 2.371 . . . . 0.0 112.023 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.852 ' HB2' ' HG ' ' A' ' 13' ' ' LEU . . . -61.01 -47.07 88.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.476 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 57.2 mtt -63.78 -40.26 96.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.537 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -63.44 -37.38 87.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.592 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.563 HD22 HG21 ' A' ' 34' ' ' VAL . 1.8 mt -48.39 -42.68 32.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.533 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.459 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 19.9 m-85 -58.49 -41.9 86.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.466 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -69.65 -37.2 76.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.53 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.976 HD12 ' CE1' ' A' ' 30' ' ' PHE . 4.1 mm? -66.59 -39.58 88.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.503 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.466 ' SD ' ' O ' ' A' ' 32' ' ' ALA . 0.4 OUTLIER -51.46 -33.51 31.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.539 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -80.17 -41.29 25.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.566 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.72 -39.01 90.3 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.976 ' CE1' HD12 ' A' ' 26' ' ' LEU . 9.5 m-30 -100.88 154.92 18.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.767 0.318 . . . . 0.0 110.578 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.498 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 88.8 m-20 -101.26 92.48 4.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.546 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.498 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 172.99 155.16 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.589 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -99.76 133.9 43.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.571 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.563 HG21 HD22 ' A' ' 23' ' ' LEU . 26.9 m -111.67 145.09 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.578 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.7 tt -144.41 138.19 27.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.571 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.653 HD23 HG22 ' A' ' 65' ' ' VAL . 13.1 mt -109.15 146.89 33.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.579 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -145.99 134.2 21.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.568 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -86.33 153.61 21.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.541 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -53.3 -31.55 44.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.58 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -67.74 -5.16 14.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.524 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.13 20.66 48.65 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.2 m -88.51 112.62 23.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.802 0.334 . . . . 0.0 110.55 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.476 ' OE1' ' N ' ' A' ' 43' ' ' GLU . 58.4 mp0 -77.32 105.26 8.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.556 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.574 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -99.98 76.58 1.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.552 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -42.24 121.41 1.88 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.563 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.459 ' O ' ' CZ ' ' A' ' 24' ' ' PHE . . . -69.79 0.72 5.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.503 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.521 ' OD1' ' O ' ' A' ' 47' ' ' ASN . 0.4 OUTLIER -106.9 14.44 26.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.583 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 55.0 m -135.07 129.78 34.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.554 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.434 HG22 ' H ' ' A' ' 49' ' ' VAL . 4.4 m -64.6 -31.89 55.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.611 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 90.0 mt -61.56 -38.08 79.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.536 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.574 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -67.74 -39.65 84.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.575 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.665 HD22 ' HB1' ' A' ' 20' ' ' ALA . 87.7 mt -59.08 -39.96 83.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.616 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 53' ' ' LEU . 6.0 mt -70.03 -34.11 72.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.526 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.3 ttm -66.21 -40.48 90.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.538 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.47 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 95.2 mt -64.51 -23.83 67.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.58 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -55.27 -38.53 68.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.605 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 61.4 m -72.69 -8.1 53.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.575 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -84.47 10.53 10.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.578 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.431 ' CG ' ' O ' ' A' ' 59' ' ' LYS . 12.0 ptmt -53.37 101.51 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.606 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 104.63 1.3 43.22 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.4 ' O ' ' HB ' ' A' ' 9' ' ' ILE . 74.7 mtt180 -101.6 173.26 6.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.813 0.34 . . . . 0.0 110.63 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -100.73 144.22 29.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.589 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 33.3 pt -133.67 161.76 40.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.657 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -122.39 104.75 9.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.592 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.653 HG22 HD23 ' A' ' 36' ' ' LEU . 39.7 t -84.28 126.85 40.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.568 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -120.37 138.89 53.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.559 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.81 131.45 31.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.531 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.746 ' OG1' HG22 ' A' ' 2' ' ' THR . 47.6 m -126.26 131.29 51.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.574 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.431 ' N ' ' HB3' ' A' ' 72' ' ' GLU . . . 140.24 165.0 10.12 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -47.85 -41.17 32.28 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.809 2.34 . . . . 0.0 112.117 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -101.49 19.62 17.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.598 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.431 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 23.2 pt-20 -48.89 -39.87 27.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.54 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.411 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 91.4 mt-10 -64.71 -48.5 74.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.541 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.4 tp10 -54.11 -50.41 66.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.597 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.531 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -54.74 -47.52 73.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.523 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.7 tp -62.05 -43.85 97.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.557 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.27 -42.61 98.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.486 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.09 -44.09 97.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.518 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 75' ' ' ALA . 61.3 t -67.37 -43.94 87.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.466 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 54.0 mt -64.9 -39.37 85.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.489 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.28 -36.99 85.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.52 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.469 HD13 ' HA ' ' A' ' 19' ' ' PRO . 55.3 mt -69.82 -40.85 75.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.537 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.585 ' CE1' ' O ' ' A' ' 13' ' ' LEU . 6.3 m-30 -69.96 -30.54 67.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.48 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -85.07 -2.09 57.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.548 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.7 t . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.561 -179.973 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.401 ' O ' HG23 ' A' ' 68' ' ' THR . 96.5 mtp . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.787 HG22 ' OG1' ' A' ' 68' ' ' THR . 69.6 p -134.31 157.64 45.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.567 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.507 HG12 ' CD2' ' A' ' 76' ' ' LEU . 47.3 t -127.7 117.93 47.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.475 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt -115.93 151.08 36.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.586 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.501 ' HB2' HD21 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -153.45 133.13 13.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.519 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.64 127.72 35.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.614 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 86.3 t -129.71 133.11 65.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.492 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -83.62 125.08 31.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.655 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.471 HD12 ' HB1' ' A' ' 58' ' ' ALA . 20.9 mt -78.64 117.86 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.491 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.722 ' O ' ' HB2' ' A' ' 11' ' ' ASN . 40.1 m -131.7 100.26 5.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.627 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.786 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 36.2 m120 84.05 32.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.713 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.786 ' HB2' ' O ' ' A' ' 11' ' ' ASN . 63.0 mttm 88.66 -178.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.659 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.521 ' O ' ' HG2' ' A' ' 19' ' ' PRO . 84.5 mt -68.66 22.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.602 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.585 ' H ' ' C ' ' A' ' 12' ' ' LYS . . . 115.25 -103.1 1.19 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 59.0 ttm -103.99 111.39 23.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.75 0.309 . . . . 0.0 110.581 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 59.2 m170 47.07 -112.5 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.602 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -134.3 13.66 3.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.573 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.55 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 1.1 mpt_? -53.16 -48.6 91.56 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.538 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 18' ' ' ARG . 51.0 Cg_exo -49.19 -55.03 4.54 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.862 2.375 . . . . 0.0 112.061 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 1.009 ' HB1' HD21 ' A' ' 52' ' ' LEU . . . -61.3 -44.01 97.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.514 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 64.4 mtt -68.89 -43.01 76.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.525 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -60.31 -37.13 79.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.579 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.628 HD21 ' CG2' ' A' ' 79' ' ' VAL . 3.3 mt -50.55 -45.67 57.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.544 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.461 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 8.2 m-85 -54.85 -39.08 68.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.566 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -76.14 -35.97 58.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.539 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.562 ' O ' ' N ' ' A' ' 30' ' ' PHE . 89.5 mt -64.73 -43.05 94.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.547 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 87.5 mtp -59.61 -37.33 78.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.63 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 29.8 tp60 -57.33 -41.7 80.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.544 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -97.07 -19.3 26.68 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.608 ' HA ' ' NE2' ' A' ' 71' ' ' GLN . 7.3 m-85 -95.12 121.5 36.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.749 0.309 . . . . 0.0 110.591 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.662 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 98.4 m-20 -79.09 94.79 5.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.572 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.662 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 163.03 155.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.569 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -102.97 128.14 49.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.548 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 70.3 t -106.98 138.18 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.484 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.7 tt -136.45 136.83 39.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.688 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.405 HD11 ' HB2' ' A' ' 46' ' ' ALA . 1.2 mp -108.72 145.17 35.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.563 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.618 HH11 ' CG ' ' A' ' 43' ' ' GLU . 19.4 ttm180 -142.42 134.16 26.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.572 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.429 ' HA ' HG22 ' A' ' 63' ' ' ILE . 97.5 m-20 -87.41 155.52 19.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.518 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 40' ' ' GLU . 46.5 p-10 -56.57 -26.41 55.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.603 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.444 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 99.3 mt-10 -69.35 -22.59 63.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.56 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.13 4.66 31.0 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 m -80.62 111.42 17.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.816 0.341 . . . . 0.0 110.626 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.618 ' CG ' HH11 ' A' ' 37' ' ' ARG . 99.7 mt-10 -70.98 100.48 1.99 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.62 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.767 ' HA ' ' HB1' ' A' ' 51' ' ' ALA . . . -84.31 47.33 1.32 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.561 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -39.52 119.91 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.664 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.486 ' C ' ' H ' ' A' ' 48' ' ' SER . . . -55.3 -33.4 63.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.623 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.538 ' CG ' ' O ' ' A' ' 47' ' ' ASN . 0.7 OUTLIER -74.53 33.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.594 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.486 ' H ' ' C ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -155.27 125.77 6.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.578 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.458 HG23 ' N ' ' A' ' 50' ' ' ILE . 32.8 m -68.07 -38.87 80.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.617 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.458 ' N ' HG23 ' A' ' 49' ' ' VAL . 82.3 mt -60.43 -33.32 53.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.561 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.767 ' HB1' ' HA ' ' A' ' 44' ' ' ALA . . . -65.65 -42.37 91.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.632 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 1.009 HD21 ' HB1' ' A' ' 20' ' ' ALA . 6.7 mt -59.7 -37.65 79.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.628 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.405 ' O ' ' HB2' ' A' ' 56' ' ' ASP . 65.4 tp -64.4 -36.21 83.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.58 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 21.3 mmt -67.66 -35.81 79.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.512 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.524 HD21 ' CB ' ' A' ' 44' ' ' ALA . 94.4 mt -60.88 -24.04 65.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.594 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 53' ' ' LEU . 96.1 m-20 -56.42 -35.78 68.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.582 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 89.6 p -84.95 2.44 42.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.544 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.471 ' HB1' HD12 ' A' ' 9' ' ' ILE . . . -87.48 24.32 1.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.619 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -75.03 99.21 3.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.542 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.39 0.04 40.43 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 88.2 mtt-85 -102.47 165.7 10.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.779 0.324 . . . . 0.0 110.545 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -100.17 141.86 32.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.516 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.429 HG22 ' HA ' ' A' ' 38' ' ' ASN . 43.5 pt -127.17 159.39 37.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.618 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -116.97 107.79 14.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.583 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.5 t -88.29 117.39 31.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.621 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -113.97 135.6 53.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.64 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.43 ' O ' ' HB2' ' A' ' 72' ' ' GLU . . . -134.5 129.12 34.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.588 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.787 ' OG1' HG22 ' A' ' 2' ' ' THR . 65.9 m -123.12 130.28 52.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.572 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.52 ' O ' ' HB3' ' A' ' 72' ' ' GLU . . . 139.93 165.09 10.15 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -46.93 -45.72 20.19 Favored 'Trans proline' 0 C--N 1.303 -1.832 0 C-N-CA 122.874 2.383 . . . . 0.0 112.139 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.608 ' NE2' ' HA ' ' A' ' 30' ' ' PHE . 34.4 mt-30 -90.77 5.13 49.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.638 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.52 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 21.3 pt-20 -39.79 -40.21 0.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.603 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.427 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 94.6 mt-10 -65.64 -49.1 69.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.597 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -63.86 -50.14 69.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.528 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.96 -47.69 74.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.559 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.507 ' CD2' HG12 ' A' ' 3' ' ' VAL . 58.4 tp -63.62 -42.59 98.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.554 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.14 -41.41 96.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.553 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.87 -46.3 88.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.639 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.628 ' CG2' HD21 ' A' ' 23' ' ' LEU . 96.2 t -65.11 -42.6 94.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.572 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 50.7 mt -66.73 -39.33 83.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.576 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.5 -36.74 83.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.619 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.6 mt -69.79 -41.1 75.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.535 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.58 ' CD1' ' N ' ' A' ' 83' ' ' PHE . 6.8 m-30 -70.84 -29.52 65.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.6 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.497 ' O ' ' HB2' ' A' ' 85' ' ' SER . 53.3 t30 -88.5 -7.5 56.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.589 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.497 ' HB2' ' O ' ' A' ' 84' ' ' ASN . 72.2 m . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.061 -0.971 . . . . 0.0 110.542 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.502 ' O ' HG23 ' A' ' 68' ' ' THR . 59.9 mtt . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.794 HG22 ' OG1' ' A' ' 68' ' ' THR . 66.2 p -135.35 156.0 49.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.538 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 78.9 t -135.52 118.83 23.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.554 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.557 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 47.4 pttt -123.39 170.56 10.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.683 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.557 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 50.5 mt-30 -157.98 133.43 8.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.476 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.6 127.04 33.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.621 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 53.5 t -130.35 125.97 60.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.506 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -71.29 133.8 46.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.651 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.424 ' HB ' ' O ' ' A' ' 61' ' ' ARG . 12.8 mm -98.59 108.63 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.599 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.88 HG22 ' O ' ' A' ' 10' ' ' THR . 54.2 m -142.14 34.83 1.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.593 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.785 ' CB ' ' O ' ' A' ' 10' ' ' THR . 62.1 t-20 109.54 11.36 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.527 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 1.021 ' HB3' ' O ' ' A' ' 83' ' ' PHE . 45.2 mttm -103.64 -8.44 19.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.552 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.4 tp -59.13 13.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.589 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.709 ' H ' ' C ' ' A' ' 12' ' ' LYS . . . 104.12 139.42 10.11 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 97.6 mmm -57.35 -43.69 83.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.786 0.327 . . . . 0.0 110.554 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.576 ' C ' ' H ' ' A' ' 18' ' ' ARG . 57.4 t-80 -165.01 84.01 0.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.577 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.828 ' HB1' ' HG2' ' A' ' 21' ' ' MET . . . 55.18 2.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.508 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.576 ' H ' ' C ' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -43.6 -59.62 3.26 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.604 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.471 ' HD2' ' N ' ' A' ' 18' ' ' ARG . 40.7 Cg_endo -70.7 -51.47 0.3 Allowed 'Trans proline' 0 C--N 1.304 -1.809 0 C-N-CA 122.807 2.338 . . . . 0.0 112.098 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.776 ' HB1' HD21 ' A' ' 52' ' ' LEU . . . -51.97 -55.44 20.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.544 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.828 ' HG2' ' HB1' ' A' ' 17' ' ' ALA . 39.0 mmm -58.6 -47.12 85.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.509 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.496 ' NZ ' HD13 ' A' ' 26' ' ' LEU . 64.8 tttm -61.23 -37.81 84.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.6 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.574 HD21 ' CG2' ' A' ' 79' ' ' VAL . 3.6 mt -49.66 -50.04 44.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.578 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.552 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 5.8 m-85 -49.81 -42.82 47.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.593 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -78.21 -34.25 49.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.491 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.496 HD13 ' NZ ' ' A' ' 22' ' ' LYS . 4.6 tp -63.87 -45.57 88.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.546 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 43.5 mtm -61.31 -35.68 78.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.519 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -58.06 -41.66 83.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.546 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.71 -21.99 27.28 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.551 ' HA ' ' NE2' ' A' ' 71' ' ' GLN . 3.2 m-85 -91.27 125.25 35.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.822 0.344 . . . . 0.0 110.563 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.696 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 93.5 m-20 -78.29 96.31 5.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.519 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.696 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 158.86 152.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.573 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 67' ' ' ALA . 87.0 tt0 -100.71 130.16 46.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.678 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 92.8 t -105.98 137.22 37.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.535 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.5 tt -136.73 134.6 37.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.605 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.411 ' HB2' ' HB3' ' A' ' 44' ' ' ALA . 1.0 OUTLIER -105.19 151.39 24.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.492 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.5 mtt180 -148.0 134.25 19.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.565 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.629 HD21 HD23 ' A' ' 55' ' ' LEU . 92.5 m-20 -92.78 157.46 16.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.553 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.406 ' O ' ' OD1' ' A' ' 39' ' ' ASP . 65.5 t0 -52.89 -31.41 39.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.586 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -67.18 -11.31 57.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.621 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.28 15.57 55.31 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 m -85.08 113.48 21.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.738 0.304 . . . . 0.0 110.579 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -72.06 100.86 2.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.534 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.636 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -86.73 58.35 5.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.594 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -41.29 119.93 1.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.58 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.552 ' O ' ' CZ ' ' A' ' 24' ' ' PHE . . . -59.64 -31.22 69.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.551 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 56.9 p30 -76.7 28.6 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.534 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.463 ' H ' ' C ' ' A' ' 46' ' ' ALA . 7.3 t -148.66 123.2 9.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.606 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.468 HG22 ' H ' ' A' ' 49' ' ' VAL . 3.7 m -65.8 -33.44 63.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.559 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 85.4 mt -60.71 -35.92 67.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.599 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.636 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -66.87 -45.46 78.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.529 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.776 HD21 ' HB1' ' A' ' 20' ' ' ALA . 2.5 mp -54.95 -36.53 65.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.583 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.9 mt -70.09 -35.99 74.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.583 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 21.4 mmt -68.34 -35.64 78.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.599 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.629 HD23 HD21 ' A' ' 38' ' ' ASN . 97.4 mt -62.39 -32.66 73.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.578 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -52.37 -30.37 28.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.553 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 84.9 p -82.35 -5.63 58.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.612 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.77 29.29 0.54 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.565 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -71.99 97.06 1.8 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.635 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.62 4.28 40.01 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.424 ' O ' ' HB ' ' A' ' 9' ' ' ILE . 92.4 mtt-85 -106.08 159.55 15.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.759 0.314 . . . . 0.0 110.609 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -93.31 143.95 25.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.583 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 33.7 pt -129.6 160.03 41.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.607 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -122.14 98.59 6.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.541 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 40.8 t -80.35 126.2 39.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.541 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -119.2 138.62 52.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.601 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.431 ' O ' ' HB2' ' A' ' 72' ' ' GLU . . . -137.02 131.53 32.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.597 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.794 ' OG1' HG22 ' A' ' 2' ' ' THR . 60.2 m -124.96 129.93 51.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.547 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.484 ' O ' ' HB3' ' A' ' 72' ' ' GLU . . . 138.66 165.5 10.3 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -47.01 -43.13 25.17 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.815 2.344 . . . . 0.0 112.143 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.551 ' NE2' ' HA ' ' A' ' 30' ' ' PHE . 33.9 mt-30 -95.0 12.92 26.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.557 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.484 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 22.2 pt-20 -46.76 -44.07 18.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.606 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.476 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 38.3 mt-10 -66.77 -45.29 78.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.594 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -61.13 -49.01 79.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.599 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.07 -46.5 68.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.564 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.464 HD11 ' HA ' ' A' ' 4' ' ' LYS . 1.5 mt -66.77 -41.86 87.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.526 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.27 -44.18 97.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.528 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.17 -44.36 97.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.5 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.574 ' CG2' HD21 ' A' ' 23' ' ' LEU . 83.9 t -68.88 -41.94 82.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.608 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 44.5 mt -64.9 -42.67 95.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.574 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.74 -34.5 75.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.604 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.9 mt -74.86 -37.63 62.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.573 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 1.021 ' O ' ' HB3' ' A' ' 12' ' ' LYS . 3.3 m-85 -69.68 -33.98 73.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.613 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -73.44 -12.1 60.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.542 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.1 m . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.602 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.454 ' O ' ' O ' ' A' ' 2' ' ' THR . 27.3 ttt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.454 ' O ' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER 56.76 116.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.57 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.546 ' O ' HD12 ' A' ' 76' ' ' LEU . 96.7 t -137.86 117.43 15.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.558 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.58 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 48.5 pttt -119.73 166.65 12.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.619 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.58 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 50.3 mt-30 -159.48 131.88 6.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.505 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.79 128.18 33.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.669 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 97.3 t -130.79 131.21 64.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.495 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -78.61 135.24 37.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.685 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.0 mm -93.66 127.84 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.478 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . 1.283 ' O ' ' ND2' ' A' ' 11' ' ' ASN . 51.1 m -133.79 97.67 3.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.615 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 1.283 ' ND2' ' O ' ' A' ' 10' ' ' THR . 1.1 m-80 94.17 -26.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.601 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.77 ' HB3' ' O ' ' A' ' 11' ' ' ASN . 15.7 ptpt 154.53 -172.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.595 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.573 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 91.4 mt -56.74 -39.81 74.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.583 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.571 ' O ' ' HD2' ' A' ' 12' ' ' LYS . . . 170.97 -127.25 1.42 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 67.8 mtt -71.73 94.32 1.36 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.753 0.311 . . . . 0.0 110.569 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 78.9 m80 56.96 -109.22 0.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.557 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -132.32 2.29 3.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.621 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.535 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 2.0 mtt85 -53.16 -49.02 90.02 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.581 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.535 ' CD ' ' N ' ' A' ' 18' ' ' ARG . 52.1 Cg_exo -47.66 -58.68 1.6 Allowed 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.781 2.321 . . . . 0.0 112.108 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.464 ' HB1' HD22 ' A' ' 52' ' ' LEU . . . -61.7 -42.88 99.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.481 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 12.0 mmt -65.05 -43.96 90.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.503 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -62.28 -38.4 89.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.573 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.515 HD21 ' CG2' ' A' ' 79' ' ' VAL . 3.4 mt -47.43 -44.9 25.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.538 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -52.73 -38.48 60.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.572 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -75.15 -31.41 61.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.48 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.689 HD22 ' CE1' ' A' ' 30' ' ' PHE . 68.7 mt -65.07 -44.17 89.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.553 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.422 ' SD ' ' O ' ' A' ' 32' ' ' ALA . 36.0 mmm -52.3 -30.79 29.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.576 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -81.19 -42.46 20.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.544 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.23 -40.32 55.97 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.689 ' CE1' HD22 ' A' ' 26' ' ' LEU . 3.5 m-30 -100.48 150.78 22.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.793 0.33 . . . . 0.0 110.595 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.528 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 11.7 m-20 -99.95 95.15 6.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.621 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.528 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 171.36 150.32 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.517 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 68' ' ' THR . 86.1 tt0 -94.97 139.17 31.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.596 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.9 m -114.97 146.37 19.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.499 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 tt -143.1 137.67 29.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.667 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.67 HD23 HG22 ' A' ' 65' ' ' VAL . 20.4 mt -110.7 150.14 29.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.533 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -151.15 132.93 14.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.559 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.567 HD21 HD23 ' A' ' 55' ' ' LEU . 96.4 m-20 -87.13 156.93 19.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.555 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 40' ' ' GLU . 48.1 p-10 -53.41 -23.43 9.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.6 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.434 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 99.4 mt-10 -72.55 -6.13 41.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.578 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.53 20.01 59.18 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 m -89.38 116.43 27.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.338 . . . . 0.0 110.562 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -82.57 104.89 13.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.63 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 1.013 ' HB1' ' HB1' ' A' ' 51' ' ' ALA . . . -102.79 96.36 6.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.612 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 97.4 mt-10 -43.09 121.82 2.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.518 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.65 -3.26 20.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.537 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -110.74 22.59 15.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.592 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 39.5 t -137.69 134.18 35.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.57 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.95 -30.95 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.53 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 84.0 mt -61.47 -39.18 82.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.613 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 1.013 ' HB1' ' HB1' ' A' ' 44' ' ' ALA . . . -69.08 -40.06 78.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.636 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.464 HD22 ' HB1' ' A' ' 20' ' ' ALA . 92.1 mt -60.68 -40.08 90.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.525 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.0 mt -63.82 -38.91 92.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.629 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 97.7 mtp -70.04 -39.05 75.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.553 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.567 HD23 HD21 ' A' ' 38' ' ' ASN . 91.5 mt -64.13 -30.2 71.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.538 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -54.0 -35.86 62.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.562 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.412 ' C ' ' H ' ' A' ' 59' ' ' LYS . 75.6 m -73.61 -4.59 35.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.585 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -79.44 29.41 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.563 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.412 ' H ' ' C ' ' A' ' 57' ' ' SER . 13.4 pttp -70.06 98.3 1.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.543 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 104.21 6.94 41.5 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -110.71 157.15 20.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.756 0.313 . . . . 0.0 110.561 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -92.27 143.85 25.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.578 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 28.2 pt -130.8 162.49 38.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.542 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -122.55 105.39 10.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.613 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.67 HG22 HD23 ' A' ' 36' ' ' LEU . 48.9 t -85.74 130.2 36.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.592 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -123.27 139.49 53.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.614 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.35 138.09 37.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.492 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.45 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 32.5 m -133.74 130.74 38.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.483 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.491 ' N ' ' HB3' ' A' ' 72' ' ' GLU . . . 142.97 165.37 10.61 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -47.64 -42.23 29.85 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.792 2.328 . . . . 0.0 112.081 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -107.8 29.5 7.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.56 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.491 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 17.0 pt-20 -58.14 -37.89 75.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.586 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -63.33 -47.92 80.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.558 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -55.64 -48.22 75.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.583 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.6 -48.39 72.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.582 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.546 HD12 ' O ' ' A' ' 3' ' ' VAL . 0.9 OUTLIER -65.88 -41.68 91.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.557 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.68 -43.76 93.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.559 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.25 -43.87 98.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.558 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.515 ' CG2' HD21 ' A' ' 23' ' ' LEU . 92.1 t -67.82 -44.16 85.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.511 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 49.6 mt -64.4 -40.51 89.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.534 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.79 -36.87 84.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.543 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 50.3 mt -71.54 -40.26 70.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.559 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.573 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 6.9 m-30 -70.62 -30.42 67.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.546 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.627 ' O ' ' OG ' ' A' ' 85' ' ' SER . 55.6 t30 -87.24 -3.25 59.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.566 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.627 ' OG ' ' O ' ' A' ' 84' ' ' ASN . 0.4 OUTLIER . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 118.074 -0.965 . . . . 0.0 110.617 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.402 ' O ' ' OE2' ' A' ' 72' ' ' GLU . 55.4 ttp . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.81 HG22 ' OG1' ' A' ' 68' ' ' THR . 78.1 p -84.69 155.17 22.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.586 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.656 HG23 ' OE1' ' A' ' 72' ' ' GLU . 96.0 t -135.67 116.3 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.561 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.541 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 46.7 pttt -121.84 165.73 15.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.604 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.541 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 63.9 mt-30 -157.08 130.33 7.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.547 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.48 128.95 34.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.625 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 58.9 t -131.82 127.43 58.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.598 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -75.26 134.61 41.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.558 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.436 ' HB ' ' O ' ' A' ' 61' ' ' ARG . 14.1 mm -98.29 109.49 23.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.598 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.961 HG22 ' O ' ' A' ' 10' ' ' THR . 18.1 m -133.64 44.47 2.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.518 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.88 ' HB2' ' O ' ' A' ' 10' ' ' THR . 97.6 m-20 88.81 24.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.486 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.589 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 10.8 ptmt -122.76 12.92 9.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.568 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.471 ' O ' ' HG2' ' A' ' 19' ' ' PRO . 3.2 tp -76.78 -17.56 58.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.59 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 147.96 128.3 1.77 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 24.1 mmt -56.85 -46.84 81.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.792 0.33 . . . . 0.0 110.563 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.533 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 77.6 m80 -135.03 35.44 3.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.554 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 16' ' ' HIS . . . 72.07 2.84 4.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.541 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.496 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -41.0 -51.65 7.29 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.576 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 18' ' ' ARG . 54.1 Cg_exo -47.04 -49.29 12.89 Favored 'Trans proline' 0 C--N 1.304 -1.803 0 C-N-CA 122.82 2.346 . . . . 0.0 112.067 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.55 ' HB1' HD22 ' A' ' 52' ' ' LEU . . . -57.09 -52.09 66.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.442 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 63.4 mtt -61.81 -43.11 99.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.489 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -64.31 -37.43 87.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.458 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.583 HD21 ' CG2' ' A' ' 79' ' ' VAL . 2.1 mt -53.77 -43.91 69.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.475 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -55.59 -40.72 72.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.467 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -71.63 -35.44 70.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.519 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.412 HD22 ' CE1' ' A' ' 30' ' ' PHE . 77.0 mt -67.12 -42.13 85.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.499 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 31.2 mtp -56.66 -36.66 69.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.503 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -72.22 -34.91 68.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.515 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.92 -35.97 26.43 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.497 ' CD2' ' N ' ' A' ' 30' ' ' PHE . 6.2 m-30 -97.57 153.18 18.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.768 0.318 . . . . 0.0 110.576 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.573 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 97.0 m-20 -100.33 94.36 6.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.552 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.573 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 168.91 151.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.558 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -96.41 133.05 41.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.614 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.596 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 70.5 t -104.13 143.08 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.58 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tt -137.78 133.19 33.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.572 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.448 ' CD2' HG22 ' A' ' 65' ' ' VAL . 4.6 mt -118.94 148.77 42.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.594 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.503 ' HE ' ' HB2' ' A' ' 64' ' ' GLU . 21.7 ptt180 -157.95 142.24 16.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.574 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.448 HD21 HD23 ' A' ' 55' ' ' LEU . 81.0 m-20 -88.82 161.28 16.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.569 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -60.51 -28.58 68.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.524 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.729 ' OE2' ' NH2' ' A' ' 61' ' ' ARG . 94.9 mt-10 -62.19 -18.04 59.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.61 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.44 7.77 39.26 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.8 m -82.06 111.68 18.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 0.0 110.549 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -81.59 106.24 13.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.571 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.644 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -97.25 83.49 3.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.502 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.471 ' C ' ' H ' ' A' ' 47' ' ' ASN . 96.3 mt-10 -39.27 121.27 1.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.559 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' A' ' 34' ' ' VAL . . . -68.63 8.57 0.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.556 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.569 ' N ' ' OD1' ' A' ' 47' ' ' ASN . 0.2 OUTLIER -128.1 33.78 4.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.55 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.3 t -149.8 129.19 12.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.624 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.5 m -65.92 -32.26 57.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.569 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 87.4 mt -60.63 -38.6 78.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.585 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.644 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -67.89 -38.42 82.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.552 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.55 HD22 ' HB1' ' A' ' 20' ' ' ALA . 53.3 tp -58.58 -40.83 84.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.619 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.7 tp -60.04 -38.26 82.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.553 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 89.3 mtp -69.93 -35.84 74.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.636 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.485 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 97.7 mt -64.75 -27.07 68.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.604 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -53.8 -36.74 62.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.558 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 96.6 p -77.55 1.67 18.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.538 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -82.75 23.56 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.56 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -71.57 97.01 1.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.519 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 103.71 5.65 44.66 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.729 ' NH2' ' OE2' ' A' ' 40' ' ' GLU . 7.3 mtp180 -108.38 160.13 16.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.793 0.33 . . . . 0.0 110.564 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -94.21 145.39 24.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.537 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 25.3 pt -133.2 163.12 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.557 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.503 ' HB2' ' HE ' ' A' ' 37' ' ' ARG . 10.5 mt-10 -121.49 106.93 11.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.539 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.448 HG22 ' CD2' ' A' ' 36' ' ' LEU . 4.7 t -86.34 125.2 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.523 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 72.9 tt0 -126.56 143.13 51.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.575 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.586 ' HB2' HD13 ' A' ' 76' ' ' LEU . . . -143.7 145.85 32.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.554 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.81 ' OG1' HG22 ' A' ' 2' ' ' THR . 29.8 m -135.29 131.34 36.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.557 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.472 ' N ' ' HB3' ' A' ' 72' ' ' GLU . . . 141.08 165.73 10.44 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -47.71 -43.19 29.19 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.812 2.341 . . . . 0.0 112.189 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -106.03 29.02 7.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.522 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.656 ' OE1' HG23 ' A' ' 3' ' ' VAL . 12.4 pt-20 -57.96 -37.89 75.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.505 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.458 ' HG3' ' H ' ' A' ' 74' ' ' GLU . 2.9 pt-20 -64.76 -46.22 83.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.54 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.458 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 74.2 tt0 -53.39 -51.98 60.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.681 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.49 -47.56 57.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.577 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.586 HD13 ' HB2' ' A' ' 67' ' ' ALA . 2.0 mp -65.87 -41.17 91.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.548 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.66 -43.36 93.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.593 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.19 -43.74 97.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.481 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.583 ' CG2' HD21 ' A' ' 23' ' ' LEU . 86.5 t -70.15 -46.55 71.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.494 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 42.5 mt -63.44 -39.45 85.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.473 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 85' ' ' SER . . . -62.5 -32.59 73.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.509 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.55 -47.54 75.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.526 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.622 ' CD2' ' N ' ' A' ' 83' ' ' PHE . 2.5 m-30 -75.05 -25.0 58.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.497 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -97.28 -2.73 42.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.554 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 81' ' ' ALA . 70.4 m . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.617 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ttt . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.818 HG22 ' OG1' ' A' ' 68' ' ' THR . 72.8 p -81.15 157.66 25.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.59 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 86.8 t -135.38 119.49 25.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.578 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 46.4 pttt -124.88 172.38 9.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.573 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.57 ' HB2' HD21 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -164.86 130.14 2.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.58 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.33 130.0 35.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.623 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.9 p -138.6 133.28 42.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.559 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.0 mp0 -74.61 134.55 42.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.577 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.416 HD13 ' HA ' ' A' ' 9' ' ' ILE . 6.7 mm -86.62 121.25 37.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.506 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.793 ' O ' HG23 ' A' ' 10' ' ' THR . 11.3 t -136.52 105.94 6.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.604 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.662 ' HB3' ' O ' ' A' ' 10' ' ' THR . 45.0 t30 80.27 34.12 0.15 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.598 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.615 ' HB2' ' O ' ' A' ' 11' ' ' ASN . 58.1 mttp 79.63 -165.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.507 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.719 ' O ' ' HG2' ' A' ' 19' ' ' PRO . 11.1 mp -81.45 17.27 1.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.505 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 152.09 -146.06 14.36 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 23.2 mmt -65.53 -33.97 77.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.825 0.345 . . . . 0.0 110.588 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -156.91 -94.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.573 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -135.87 2.72 2.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.643 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.535 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 24.8 mtp85 -51.56 -48.99 85.22 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.584 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.719 ' HG2' ' O ' ' A' ' 13' ' ' LEU . 50.4 Cg_exo -48.37 -50.1 12.92 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.816 2.344 . . . . 0.0 112.145 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.412 ' HB1' HD22 ' A' ' 52' ' ' LEU . . . -65.01 -42.73 94.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.521 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 46.8 mtt -67.48 -45.95 74.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.582 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.9 tttt -60.74 -38.98 86.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.486 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.593 HD21 ' CG2' ' A' ' 79' ' ' VAL . 2.9 mt -48.75 -43.11 37.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.574 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -57.23 -40.18 77.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.589 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -70.39 -34.89 73.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.53 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.617 ' O ' ' N ' ' A' ' 30' ' ' PHE . 5.2 mp -66.98 -41.16 87.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.597 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.523 ' HG2' ' N ' ' A' ' 28' ' ' GLN . 1.9 ptt? -56.58 -34.7 67.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.526 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.523 ' N ' ' HG2' ' A' ' 27' ' ' MET . 58.2 tt0 -67.75 -41.67 82.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.647 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.15 -20.71 37.91 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.697 ' HA ' ' NE2' ' A' ' 71' ' ' GLN . 16.3 m-85 -99.38 126.07 45.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.751 0.31 . . . . 0.0 110.601 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.653 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 84.5 m-20 -84.57 96.49 9.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.566 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.684 ' HB1' ' O ' ' A' ' 68' ' ' THR . . . 163.08 150.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.557 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -95.31 134.72 37.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.676 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 m -107.18 144.27 16.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.497 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.403 HD21 ' CD ' ' A' ' 37' ' ' ARG . 1.5 tt -145.13 130.64 18.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.621 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.695 HD23 HG22 ' A' ' 65' ' ' VAL . 6.6 mt -107.1 153.18 23.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.533 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 54.7 mtp180 -149.07 134.26 18.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.548 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.66 HD21 HD23 ' A' ' 55' ' ' LEU . 94.2 m-20 -93.6 157.6 16.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.572 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 65.8 t0 -51.57 -31.83 26.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.593 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.9 mp0 -68.16 -5.07 16.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.522 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.71 20.66 63.24 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.5 m -87.22 113.69 23.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.763 0.316 . . . . 0.0 110.559 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -73.81 105.38 5.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.557 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.628 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -99.21 76.65 2.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.526 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -41.8 121.64 1.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.553 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.63 -3.18 10.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.487 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -108.48 19.68 19.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.541 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.0 m -136.92 130.12 31.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.594 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.415 HG22 ' H ' ' A' ' 49' ' ' VAL . 3.0 m -67.22 -33.16 61.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.486 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 86.6 mt -60.77 -38.17 78.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.602 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.628 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -67.52 -41.2 84.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.549 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 52' ' ' LEU . 42.6 tp -55.83 -39.45 71.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.596 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.3 mt -64.08 -39.49 94.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.589 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 21.8 mmt -66.68 -36.63 82.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.518 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.66 HD23 HD21 ' A' ' 38' ' ' ASN . 97.4 mt -63.37 -35.86 81.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.523 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -50.84 -34.66 28.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.48 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 87.5 p -73.75 -9.2 58.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.488 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -84.18 30.48 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.557 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -71.02 99.77 1.87 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.548 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 102.21 1.51 51.13 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 83.2 mtt-85 -100.6 168.8 9.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.832 0.348 . . . . 0.0 110.568 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -99.26 143.0 30.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.594 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 30.3 pt -131.86 163.3 37.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.542 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -123.32 102.22 7.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.598 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.695 HG22 HD23 ' A' ' 36' ' ' LEU . 21.6 t -82.52 130.94 34.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.574 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -128.13 141.16 51.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.565 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.64 142.02 35.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.638 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.818 ' OG1' HG22 ' A' ' 2' ' ' THR . 31.1 m -129.41 141.57 51.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.578 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 129.94 -179.15 17.02 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.531 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 51.6 Cg_endo -73.01 -25.27 16.43 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.834 2.356 . . . . 0.0 112.176 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.697 ' NE2' ' HA ' ' A' ' 30' ' ' PHE . 34.2 mt-30 -105.64 3.88 29.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.574 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.514 ' CG ' ' N ' ' A' ' 73' ' ' GLU . 14.2 pt-20 -46.41 -46.82 18.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.642 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.514 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 93.6 mt-10 -59.19 -47.57 84.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.596 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -64.94 -48.26 74.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.545 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.3 -46.31 83.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.605 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.57 HD21 ' HB2' ' A' ' 5' ' ' GLN . 58.3 tp -62.11 -42.41 99.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.611 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.64 -40.66 88.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.528 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.71 -45.49 89.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.558 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.593 ' CG2' HD21 ' A' ' 23' ' ' LEU . 99.4 t -66.82 -43.75 89.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.547 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 53.6 mt -65.52 -39.5 85.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.586 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.83 -34.96 78.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.586 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.9 mt -70.31 -40.83 74.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.649 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.605 ' CD1' ' N ' ' A' ' 83' ' ' PHE . 5.4 m-30 -70.2 -30.52 67.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.546 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.626 ' OD1' ' O ' ' A' ' 84' ' ' ASN . 21.8 t-20 -76.42 -3.79 38.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.608 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.624 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 mmt . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.777 HG22 ' OG1' ' A' ' 68' ' ' THR . 58.8 p -80.37 157.0 26.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.539 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.4 t -136.32 119.96 23.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.58 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 48.5 pttt -124.24 175.39 7.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.602 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.551 ' HB2' HD21 ' A' ' 76' ' ' LEU . 2.1 tp60 -165.81 131.53 2.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.508 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.76 125.52 30.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.636 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 95.5 t -129.61 129.64 66.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.547 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.7 mp0 -72.45 138.19 46.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.584 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.517 HG21 ' O ' ' A' ' 58' ' ' ALA . 15.3 mm -90.74 109.23 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.602 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.655 ' O ' ' HB3' ' A' ' 11' ' ' ASN . 47.7 m -125.63 104.51 8.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.632 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.682 ' O ' ' CB ' ' A' ' 12' ' ' LYS . 52.2 t30 81.56 16.76 0.47 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.568 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.682 ' CB ' ' O ' ' A' ' 11' ' ' ASN . 0.9 OUTLIER 95.34 -170.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.594 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.72 ' O ' ' HG2' ' A' ' 19' ' ' PRO . 78.6 mt -70.92 19.38 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.518 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.546 ' H ' ' C ' ' A' ' 12' ' ' LYS . . . 116.25 -105.31 1.36 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 75.9 mmm -72.44 -162.14 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.808 0.337 . . . . 0.0 110.572 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.607 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 75.2 m80 -55.2 -34.87 64.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.512 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.607 ' HB2' ' O ' ' A' ' 16' ' ' HIS . . . 166.47 9.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.601 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.559 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 8.8 mpt_? -52.12 -48.03 90.01 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.509 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.72 ' HG2' ' O ' ' A' ' 13' ' ' LEU . 51.4 Cg_exo -49.53 -55.65 3.92 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.748 2.299 . . . . 0.0 112.094 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.576 ' HB2' HD12 ' A' ' 13' ' ' LEU . . . -60.42 -43.51 96.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.535 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 52.0 mtt -66.34 -44.61 82.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.625 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -61.33 -38.16 85.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.512 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.562 HD21 ' CG2' ' A' ' 79' ' ' VAL . 2.4 mt -47.0 -46.07 21.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.551 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.426 ' CE1' ' O ' ' A' ' 46' ' ' ALA . 9.2 m-85 -56.01 -37.35 69.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.487 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -75.41 -35.56 60.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.552 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.457 HD22 ' CE1' ' A' ' 30' ' ' PHE . 93.9 mt -62.75 -43.98 97.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.506 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 78.5 mtp -57.51 -33.94 68.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.492 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -77.07 -43.94 32.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.557 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.12 -40.52 82.78 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.533 ' CD2' ' N ' ' A' ' 30' ' ' PHE . 4.0 m-30 -96.45 163.5 13.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.758 0.313 . . . . 0.0 110.548 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.516 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 84.8 m-20 -104.94 92.32 4.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.538 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.516 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 172.22 155.51 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.604 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 68' ' ' THR . 85.2 tt0 -100.43 133.33 45.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.546 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 97.6 t -109.76 138.58 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.507 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 tt -136.81 134.29 36.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.659 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.573 ' CD2' HG13 ' A' ' 65' ' ' VAL . 32.4 mt -109.1 150.37 27.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.593 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -151.62 137.44 18.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.637 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.775 HD21 HD23 ' A' ' 55' ' ' LEU . 75.7 m-20 -91.27 154.77 19.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.543 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 56.1 t0 -55.47 -26.75 44.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.627 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.464 ' HG3' HH11 ' A' ' 61' ' ' ARG . 95.6 mt-10 -66.46 -18.53 65.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.549 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.29 8.51 38.24 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 77.9 m -83.67 114.14 21.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.79 0.329 . . . . 0.0 110.512 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -82.87 105.38 13.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.593 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.686 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -95.51 70.55 3.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.506 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.472 ' C ' ' H ' ' A' ' 47' ' ' ASN . 91.7 mt-10 -38.27 120.95 0.94 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.528 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.426 ' O ' ' CE1' ' A' ' 24' ' ' PHE . . . -62.4 0.12 0.5 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.569 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.492 ' CG ' ' O ' ' A' ' 47' ' ' ASN . 0.6 OUTLIER -110.23 25.54 11.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.575 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.35 123.86 14.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.47 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.431 ' H ' HG22 ' A' ' 49' ' ' VAL . 2.0 m -64.81 -36.67 78.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.591 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 81.4 mt -62.49 -35.92 72.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.529 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.686 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -65.37 -42.99 92.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.578 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 49.5 tp -60.51 -40.19 90.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.582 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.6 HD23 ' OD2' ' A' ' 56' ' ' ASP . 1.0 OUTLIER -63.66 -30.66 71.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.576 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 47.0 tpp -72.81 -36.02 67.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.544 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.775 HD23 HD21 ' A' ' 38' ' ' ASN . 96.0 mt -64.89 -18.46 65.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.585 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.6 ' OD2' HD23 ' A' ' 53' ' ' LEU . 98.2 m-20 -54.63 -37.73 66.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.621 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 71.8 m -78.95 0.38 27.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.594 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.517 ' O ' HG21 ' A' ' 9' ' ' ILE . . . -85.0 30.04 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.628 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.9 pttp -75.35 96.92 3.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.539 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 106.23 7.27 35.44 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.464 HH11 ' HG3' ' A' ' 40' ' ' GLU . 62.7 mtp85 -107.93 159.71 16.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 110.515 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -93.85 143.34 26.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.601 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 42.7 pt -129.8 163.39 35.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.56 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -122.15 100.55 7.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.556 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.573 HG13 ' CD2' ' A' ' 36' ' ' LEU . 21.8 t -83.17 128.04 39.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.535 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -123.64 139.52 53.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.585 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -135.88 133.02 37.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.572 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.777 ' OG1' HG22 ' A' ' 2' ' ' THR . 25.9 m -127.42 132.2 50.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.593 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.424 ' N ' ' HB3' ' A' ' 72' ' ' GLU . . . 140.31 166.05 10.52 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -47.38 -42.51 27.96 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.781 2.321 . . . . 0.0 112.154 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -101.93 22.31 13.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.568 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.426 ' CG ' ' N ' ' A' ' 73' ' ' GLU . 22.4 pt-20 -49.79 -41.34 44.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.518 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.426 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 93.1 mt-10 -64.08 -46.4 84.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.621 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -56.83 -49.39 75.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.569 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.569 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -56.56 -46.51 80.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.542 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.551 HD21 ' HB2' ' A' ' 5' ' ' GLN . 43.7 tp -64.59 -44.11 91.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.494 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.7 -42.66 97.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.505 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.16 -43.66 98.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.57 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 75' ' ' ALA . 57.9 t -67.05 -43.74 88.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.584 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 43.0 mt -64.37 -40.61 89.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.555 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.21 -34.59 76.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.536 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -72.5 -41.0 66.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.486 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.586 ' CD1' ' N ' ' A' ' 83' ' ' PHE . 5.8 m-30 -70.55 -32.12 69.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.591 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.511 ' O ' ' C ' ' A' ' 85' ' ' SER . 61.9 t30 -93.84 -5.07 48.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.58 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.511 ' C ' ' O ' ' A' ' 84' ' ' ASN . 12.8 t . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.068 -0.968 . . . . 0.0 110.547 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.4 mmm . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.786 HG22 ' OG1' ' A' ' 68' ' ' THR . 70.4 p -132.49 155.26 48.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.535 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.776 ' O ' HD11 ' A' ' 76' ' ' LEU . 83.7 t -134.89 120.2 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.516 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.527 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 11.3 pttm -119.29 164.9 14.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.632 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.527 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 55.6 mt-30 -156.56 129.16 7.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.533 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.77 126.15 30.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.512 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 92.3 t -130.28 131.62 65.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.588 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -77.09 133.02 39.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.441 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.704 HG21 ' O ' ' A' ' 58' ' ' ALA . 4.3 mm -84.11 116.71 28.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.624 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.768 ' O ' HG23 ' A' ' 10' ' ' THR . 8.7 t -135.54 108.21 7.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.49 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.967 ' O ' ' ND2' ' A' ' 11' ' ' ASN . 0.1 OUTLIER 83.18 18.53 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.428 -179.891 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.716 ' HB2' ' O ' ' A' ' 11' ' ' ASN . 6.8 tttp 96.21 -176.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.434 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.2 mt -56.58 -3.32 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.571 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.509 ' H ' ' C ' ' A' ' 12' ' ' LYS . . . 142.73 -137.31 7.66 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 76.5 mtm -75.87 119.84 20.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.788 0.328 . . . . 0.0 110.526 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 47.11 -100.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.511 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -151.52 9.82 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.535 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.569 ' NH1' ' SD ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -56.94 -49.45 93.84 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.635 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 18' ' ' ARG . 58.5 Cg_exo -46.64 -57.75 2.09 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.743 2.295 . . . . 0.0 112.078 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.47 ' HB1' ' CD2' ' A' ' 52' ' ' LEU . . . -59.48 -47.46 85.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.527 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.569 ' SD ' ' NH1' ' A' ' 18' ' ' ARG . 65.2 mtt -65.23 -41.44 94.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.483 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.4 mttm -62.95 -37.34 86.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.499 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.495 HD21 ' CG2' ' A' ' 79' ' ' VAL . 1.6 mt -48.71 -45.79 39.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.433 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.434 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 16.6 m-85 -55.85 -42.42 75.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.44 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -70.91 -38.11 72.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.419 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' A' ' 30' ' ' PHE . 93.5 mt -63.35 -42.91 98.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.407 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 77.1 mtp -56.92 -36.66 70.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.517 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -63.7 -42.08 98.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.476 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -89.09 -20.54 45.67 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.553 ' N ' ' O ' ' A' ' 26' ' ' LEU . 9.5 m-85 -99.57 125.93 45.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.773 0.32 . . . . 0.0 110.576 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.655 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 83.7 m-20 -81.17 95.51 6.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.488 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.655 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 163.48 153.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.59 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.401 ' O ' ' HA ' ' A' ' 67' ' ' ALA . 86.9 tt0 -99.09 125.86 44.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.549 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 73.1 t -103.84 137.2 33.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.519 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.0 tt -137.66 136.71 37.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.582 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.646 HD23 HG22 ' A' ' 65' ' ' VAL . 8.2 mt -107.7 148.41 29.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.604 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.0 ttp85 -147.52 134.84 20.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.527 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.719 HD21 HD23 ' A' ' 55' ' ' LEU . 98.3 m-20 -89.66 156.9 18.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.602 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -54.37 -26.68 31.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.522 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -67.52 -9.93 46.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.616 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.65 14.24 58.52 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.8 m -86.29 117.52 25.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.786 0.327 . . . . 0.0 110.563 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -79.88 105.92 11.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.541 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.552 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -97.09 75.79 2.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.587 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -40.31 120.95 1.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.55 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.434 ' O ' ' CZ ' ' A' ' 24' ' ' PHE . . . -65.91 -14.42 61.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.562 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.504 ' OD1' ' O ' ' A' ' 47' ' ' ASN . 28.0 t-20 -99.17 30.34 3.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.557 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.0 t -146.1 126.1 13.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.555 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.4 ' H ' HG22 ' A' ' 49' ' ' VAL . 4.8 m -66.4 -31.91 55.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.542 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 86.0 mt -60.97 -39.48 82.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.519 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.552 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -68.09 -42.24 80.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.579 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.47 ' CD2' ' HB1' ' A' ' 20' ' ' ALA . 4.6 mp -56.58 -39.62 73.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.594 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.429 HD23 ' OD2' ' A' ' 56' ' ' ASP . 1.8 mt -68.18 -31.84 71.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.569 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 14.6 tpt -72.26 -34.8 68.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.53 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.719 HD23 HD21 ' A' ' 38' ' ' ASN . 97.5 mt -65.78 -23.21 66.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.591 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.429 ' OD2' HD23 ' A' ' 53' ' ' LEU . 99.0 m-20 -52.99 -35.75 59.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.539 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 92.8 p -74.94 -9.62 58.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.516 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.704 ' O ' HG21 ' A' ' 9' ' ' ILE . . . -80.68 30.92 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.533 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.403 ' HG2' ' H ' ' A' ' 59' ' ' LYS . 2.9 ptmm? -73.78 97.49 2.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.559 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 103.29 4.87 46.89 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.45 ' O ' ' HB ' ' A' ' 9' ' ' ILE . 83.4 mtt-85 -102.11 167.12 10.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.758 0.313 . . . . 0.0 110.525 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -99.05 143.52 29.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.511 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.408 HG22 ' OD1' ' A' ' 38' ' ' ASN . 17.8 pt -132.77 160.52 42.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.637 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -121.41 100.69 7.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.549 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.646 HG22 HD23 ' A' ' 36' ' ' LEU . 17.2 t -78.7 128.97 38.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.498 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 73.4 tt0 -123.5 136.72 54.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.643 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.401 ' HA ' ' O ' ' A' ' 33' ' ' GLU . . . -136.56 137.2 39.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.498 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.786 ' OG1' HG22 ' A' ' 2' ' ' THR . 89.5 m -124.98 138.27 54.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.612 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 132.4 -177.92 18.41 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.48 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 44.6 Cg_endo -71.77 -26.82 18.77 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.806 2.337 . . . . 0.0 112.14 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.572 ' OE1' ' N ' ' A' ' 31' ' ' ASP . 51.0 mt-30 -104.76 9.43 34.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.503 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.496 ' CG ' ' N ' ' A' ' 73' ' ' GLU . 20.7 pt-20 -48.82 -48.97 41.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.569 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.496 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 2.8 pt-20 -62.0 -39.59 92.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.479 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -67.67 -49.53 62.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.564 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.521 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -53.78 -44.44 70.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.582 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.776 HD11 ' O ' ' A' ' 3' ' ' VAL . 76.9 mt -63.05 -41.54 99.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.494 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.79 -44.25 90.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.49 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.23 -42.95 96.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.45 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 75' ' ' ALA . 61.9 t -68.49 -45.98 81.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.472 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 57.6 mt -63.02 -41.57 93.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.469 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.31 -35.95 82.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.428 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 19.5 mt -72.63 -38.36 67.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.426 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -68.01 -32.6 73.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.519 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -72.01 -12.01 61.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.517 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 67.6 m . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.634 -179.985 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.416 ' C ' ' OG1' ' A' ' 2' ' ' THR . 7.7 tpt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.416 ' OG1' ' C ' ' A' ' 1' ' ' MET . 0.1 OUTLIER 63.21 117.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.551 179.898 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.1 t -131.95 119.3 40.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.509 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.1 166.28 16.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.639 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.406 ' OE1' ' CD1' ' A' ' 80' ' ' ILE . 53.7 tt0 -169.77 135.44 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.551 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.8 135.05 36.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.566 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 86.7 t -135.03 127.38 48.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.675 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -71.2 131.57 43.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.49 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.801 HG21 ' O ' ' A' ' 58' ' ' ALA . 4.9 mm -85.62 118.51 32.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.71 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.699 HG22 ' OD1' ' A' ' 11' ' ' ASN . 52.5 m -133.07 103.55 6.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.459 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.699 ' OD1' HG22 ' A' ' 10' ' ' THR . 35.5 m120 80.27 35.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.481 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.62 ' HB2' ' O ' ' A' ' 11' ' ' ASN . 52.9 mttp 81.01 -168.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.497 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.907 ' O ' ' HG2' ' A' ' 19' ' ' PRO . 8.6 mp -77.15 21.11 0.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.554 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.439 ' H ' ' C ' ' A' ' 12' ' ' LYS . . . 131.77 -140.29 11.67 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 28.0 ttt -96.59 119.4 35.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.755 0.312 . . . . 0.0 110.597 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.537 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 68.8 m80 55.41 15.54 1.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.554 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' A' ' 16' ' ' HIS . . . 70.76 13.79 7.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.574 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.528 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 1.1 mtt85 -42.25 -49.65 11.79 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.513 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.907 ' HG2' ' O ' ' A' ' 13' ' ' LEU . 53.1 Cg_exo -47.51 -45.14 23.86 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.847 2.365 . . . . 0.0 112.064 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.461 ' HB1' HD22 ' A' ' 52' ' ' LEU . . . -60.6 -51.13 70.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.494 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 20.1 mmt -62.16 -40.87 97.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.41 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -66.42 -37.26 84.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.503 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.491 HD21 ' CG2' ' A' ' 79' ' ' VAL . 2.1 mt -49.1 -45.63 43.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.459 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.511 ' CE1' ' O ' ' A' ' 46' ' ' ALA . 8.8 m-85 -57.58 -42.61 83.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.38 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -71.54 -38.5 71.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.376 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.508 ' O ' ' N ' ' A' ' 30' ' ' PHE . 78.5 mt -64.4 -40.9 96.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.461 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 14.7 mtm -56.45 -36.97 69.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.531 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -61.02 -41.76 97.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.511 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.98 -18.8 45.54 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.508 ' N ' ' O ' ' A' ' 26' ' ' LEU . 9.5 m-85 -99.69 119.99 38.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.795 0.331 . . . . 0.0 110.514 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.679 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 66.7 t0 -78.47 98.94 6.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.578 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.679 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 161.63 152.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.561 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 68' ' ' THR . 86.6 tt0 -98.23 132.8 43.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.574 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.415 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 52.2 t -105.7 139.49 26.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.557 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.455 HD21 ' CD ' ' A' ' 37' ' ' ARG . 1.3 tt -137.74 126.68 24.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.504 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.55 HD11 HG13 ' A' ' 65' ' ' VAL . 8.0 mp -106.91 153.53 22.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.665 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.455 ' CD ' HD21 ' A' ' 35' ' ' LEU . 83.7 mtm180 -147.34 132.13 17.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.501 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -86.42 156.24 20.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.601 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -53.59 -36.75 62.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.543 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -65.22 -6.29 9.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.513 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.85 18.44 56.26 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 21.2 m -83.33 110.52 18.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.341 . . . . 0.0 110.562 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -70.68 105.2 3.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.547 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.628 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -100.91 72.16 1.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.576 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 55.1 mp0 -39.35 120.43 1.04 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.587 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.511 ' O ' ' CE1' ' A' ' 24' ' ' PHE . . . -58.05 -15.54 9.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.52 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.457 ' OD1' ' O ' ' A' ' 47' ' ' ASN . 29.0 t-20 -104.84 46.22 0.93 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.58 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.2 t -157.04 121.08 4.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.586 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.1 m -64.8 -33.81 65.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.556 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 86.4 mt -62.4 -37.1 77.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.451 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.628 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -66.48 -42.57 87.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.585 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.461 HD22 ' HB1' ' A' ' 20' ' ' ALA . 45.9 tp -57.93 -39.71 78.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.569 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.78 -35.61 81.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.588 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -37.96 80.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.552 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.486 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 96.0 mt -64.33 -21.91 66.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.602 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -50.72 -37.38 41.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.533 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.425 ' C ' ' H ' ' A' ' 59' ' ' LYS . 88.7 p -76.45 -6.53 52.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.584 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.801 ' O ' HG21 ' A' ' 9' ' ' ILE . . . -78.29 30.73 0.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.596 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.425 ' H ' ' C ' ' A' ' 57' ' ' SER . 65.8 tttm -74.36 96.05 2.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.54 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 102.51 4.62 49.48 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.426 ' O ' ' HB ' ' A' ' 9' ' ' ILE . 84.2 mtt-85 -100.37 169.2 9.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.811 0.339 . . . . 0.0 110.574 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -101.2 143.48 31.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.509 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 15.7 pt -132.75 158.65 43.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.638 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -117.52 103.99 10.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.541 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.55 HG13 HD11 ' A' ' 36' ' ' LEU . 17.2 t -85.86 126.73 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.553 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -124.42 140.09 53.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.599 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.43 ' O ' ' HB2' ' A' ' 72' ' ' GLU . . . -136.83 134.04 36.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.586 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 33' ' ' GLU . 37.3 m -127.03 130.06 49.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.597 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.475 ' N ' ' HB3' ' A' ' 72' ' ' GLU . . . 138.92 168.34 11.22 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -48.1 -41.35 33.87 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.864 2.376 . . . . 0.0 112.129 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -100.73 21.23 13.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.582 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.475 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 23.6 pt-20 -53.06 -45.88 68.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.491 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.446 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 22.9 pt-20 -68.32 -36.78 79.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.613 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -64.75 -51.72 60.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.577 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.572 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -54.95 -43.99 73.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.54 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.3 tp -62.18 -44.99 95.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.534 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.83 -43.23 94.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.538 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.8 -44.43 96.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.524 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 75' ' ' ALA . 58.7 t -66.81 -44.79 88.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.467 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.406 ' CD1' ' OE1' ' A' ' 5' ' ' GLN . 56.5 mt -63.13 -41.8 94.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.491 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.83 -35.65 80.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.445 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.5 mt -73.0 -41.14 64.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.407 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -67.14 -30.12 70.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.484 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.709 ' ND2' ' O ' ' A' ' 84' ' ' ASN . 0.4 OUTLIER -82.79 -0.77 49.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.507 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 0.7 OUTLIER . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.577 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.7 mtm . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.778 HG22 ' OG1' ' A' ' 68' ' ' THR . 69.5 p -87.66 160.63 18.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.508 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.664 HG22 ' O ' ' A' ' 67' ' ' ALA . 3.2 m -125.57 120.59 58.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.559 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -119.44 143.86 47.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.627 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.417 ' NE2' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -146.06 132.68 19.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.54 179.917 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.417 ' O ' ' NE2' ' A' ' 5' ' ' GLN . 0.1 OUTLIER -86.16 127.96 34.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.652 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 85.3 t -128.81 130.36 68.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.508 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.427 ' OE1' ' N ' ' A' ' 8' ' ' GLU . 41.6 mp0 -79.72 127.95 32.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.613 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.716 HG21 ' O ' ' A' ' 58' ' ' ALA . 5.3 mm -79.42 111.18 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.545 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.639 ' O ' ' HB3' ' A' ' 11' ' ' ASN . 71.6 m -129.05 108.9 10.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.577 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.795 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 58.5 t30 83.0 13.87 0.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.564 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.863 ' O ' ' N ' ' A' ' 14' ' ' GLY . 15.4 tttm 99.6 168.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.569 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 12' ' ' LYS . 72.1 mt -37.33 -9.29 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.546 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.863 ' N ' ' O ' ' A' ' 12' ' ' LYS . . . 157.57 -161.41 31.32 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 62.3 mtt -59.29 -38.19 79.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.833 0.349 . . . . 0.0 110.589 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.806 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 35.2 t-80 -145.98 179.19 7.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.538 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.606 ' H ' ' CG ' ' A' ' 16' ' ' HIS . . . -78.2 2.31 18.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.588 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.577 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 16.2 mtt-85 -56.54 -47.02 99.73 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.544 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.806 ' HD2' ' O ' ' A' ' 16' ' ' HIS . 50.6 Cg_exo -48.55 -56.6 2.99 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 122.816 2.344 . . . . 0.0 112.059 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.445 ' HB1' HD21 ' A' ' 52' ' ' LEU . . . -61.92 -39.92 93.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.473 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 13.1 mmt -68.58 -44.67 73.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.515 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.456 ' HE2' HD21 ' A' ' 26' ' ' LEU . 85.3 tttt -62.74 -37.16 85.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.579 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.457 HD22 HG21 ' A' ' 34' ' ' VAL . 2.3 mt -44.6 -45.96 9.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.562 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.615 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 6.3 m-85 -53.04 -36.91 61.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.501 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -79.22 -33.32 43.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.446 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.587 HD22 ' CE1' ' A' ' 30' ' ' PHE . 72.6 mt -60.29 -49.87 75.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.506 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.557 ' HG3' ' N ' ' A' ' 28' ' ' GLN . 1.8 ppp? -53.15 -28.47 26.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.541 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.557 ' N ' ' HG3' ' A' ' 27' ' ' MET . 8.5 tp-100 -82.62 -43.61 16.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.508 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.72 -34.68 62.59 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.587 ' CE1' HD22 ' A' ' 26' ' ' LEU . 6.4 m-85 -103.57 146.81 27.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.771 0.32 . . . . 0.0 110.629 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.572 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 74.1 m-20 -91.0 94.96 9.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.499 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.572 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 168.89 157.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.615 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -101.79 130.38 48.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.588 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.457 HG21 HD22 ' A' ' 23' ' ' LEU . 22.8 m -108.58 145.63 15.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.543 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.3 tt -146.34 140.38 26.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.601 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.401 ' HB2' ' HB3' ' A' ' 44' ' ' ALA . 1.8 mp -109.72 147.81 32.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.531 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.522 HH11 ' CG ' ' A' ' 43' ' ' GLU . 19.7 ttm180 -146.93 134.27 20.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.559 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.686 HD21 HD23 ' A' ' 55' ' ' LEU . 87.6 m-20 -94.97 161.04 14.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.569 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -52.52 -34.06 48.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.536 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.499 ' OE2' ' CZ ' ' A' ' 61' ' ' ARG . 98.3 mt-10 -65.1 -9.81 25.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.54 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.64 7.5 66.66 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.4 m -77.15 112.08 13.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.816 0.341 . . . . 0.0 110.576 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.522 ' CG ' HH11 ' A' ' 37' ' ' ARG . 99.8 mt-10 -76.75 100.22 5.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.635 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.691 ' HA ' ' HB1' ' A' ' 51' ' ' ALA . . . -84.41 57.56 4.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.569 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.0 mp0 -41.08 120.54 1.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.571 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.615 ' O ' ' CZ ' ' A' ' 24' ' ' PHE . . . -58.46 -30.18 66.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.56 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.435 ' O ' ' CG ' ' A' ' 47' ' ' ASN . 0.6 OUTLIER -74.99 22.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.558 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.482 ' H ' ' C ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -142.95 121.16 12.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.518 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.6 m -64.94 -36.48 77.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.56 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 81.6 mt -61.87 -35.42 67.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.674 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.691 ' HB1' ' HA ' ' A' ' 44' ' ' ALA . . . -65.64 -43.96 87.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.607 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.445 HD21 ' HB1' ' A' ' 20' ' ' ALA . 2.9 mp -58.49 -35.41 72.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.599 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.43 HD13 ' OD2' ' A' ' 56' ' ' ASP . 0.9 OUTLIER -68.1 -33.78 75.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.589 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 22.0 mmt -69.08 -35.7 76.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.572 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.686 HD23 HD21 ' A' ' 38' ' ' ASN . 95.3 mt -62.72 -25.4 68.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.603 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.43 ' OD2' HD13 ' A' ' 53' ' ' LEU . 94.6 m-20 -53.32 -35.12 59.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.616 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.1 m -82.5 1.83 35.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.561 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.716 ' O ' HG21 ' A' ' 9' ' ' ILE . . . -84.88 28.39 0.69 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.653 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -75.52 96.35 3.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.531 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 106.84 4.84 36.25 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.499 ' CZ ' ' OE2' ' A' ' 40' ' ' GLU . 95.1 mtt180 -107.34 162.73 13.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.818 0.342 . . . . 0.0 110.597 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -99.64 148.02 24.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.569 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.517 HG22 ' OD1' ' A' ' 38' ' ' ASN . 15.1 pt -134.71 160.18 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.565 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -119.53 102.56 8.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.541 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 25.4 t -81.92 122.46 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.574 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 53.7 tt0 -115.69 135.37 54.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.531 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.664 ' O ' HG22 ' A' ' 3' ' ' VAL . . . -135.53 131.53 36.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.569 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.778 ' OG1' HG22 ' A' ' 2' ' ' THR . 37.3 m -124.62 130.32 52.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.569 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.533 ' N ' ' HB3' ' A' ' 72' ' ' GLU . . . 141.27 163.8 9.7 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -47.36 -48.44 15.16 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.809 2.339 . . . . 0.0 112.183 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 74' ' ' GLU . 77.3 mt-30 -92.94 7.86 42.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.563 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.533 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 25.4 pt-20 -39.35 -35.89 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.566 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -66.17 -46.51 77.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.587 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 71' ' ' GLN . 74.5 tt0 -55.54 -51.88 65.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.563 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.616 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -53.85 -48.39 70.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.549 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.4 mt -64.72 -44.73 89.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.493 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.47 -42.43 99.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.584 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.49 -44.82 93.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.487 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 75' ' ' ALA . 82.2 t -66.89 -43.62 89.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.531 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 55.5 mt -64.04 -42.13 94.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.576 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.58 -35.1 78.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.522 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -73.53 -39.43 64.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.459 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.404 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 3.1 m-85 -69.08 -32.74 72.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.535 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.48 ' O ' ' CB ' ' A' ' 85' ' ' SER . 64.6 m-20 -96.24 -6.76 37.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.621 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 2.9 m . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.62 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.2 ptp . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.491 HG23 ' OG1' ' A' ' 68' ' ' THR . 0.2 OUTLIER 62.63 120.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.567 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.3 t -131.26 120.54 46.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.541 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 1.3 pttm -126.0 167.02 15.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.6 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -168.76 135.34 1.84 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.525 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.07 134.11 35.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.598 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 71.7 t -136.3 126.81 41.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.574 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -71.83 130.66 41.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.664 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.664 HG21 ' O ' ' A' ' 58' ' ' ALA . 6.3 mm -81.78 114.55 22.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.561 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.817 ' O ' HG23 ' A' ' 10' ' ' THR . 14.6 t -124.54 99.97 6.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.554 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.734 ' HB3' ' O ' ' A' ' 10' ' ' THR . 43.8 t30 84.89 29.77 0.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.525 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.681 ' HB2' ' O ' ' A' ' 11' ' ' ASN . 57.1 mttp 81.65 -162.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.512 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.682 ' O ' ' HG2' ' A' ' 19' ' ' PRO . 18.8 mt -68.47 2.87 2.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.524 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.404 ' H ' ' C ' ' A' ' 12' ' ' LYS . . . 145.92 -130.57 3.79 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 94.6 mmm -65.35 -34.58 78.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.831 0.348 . . . . 0.0 110.572 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.63 ' CG ' ' N ' ' A' ' 17' ' ' ALA . 18.0 t-80 -163.73 -95.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.562 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.63 ' N ' ' CG ' ' A' ' 16' ' ' HIS . . . -134.71 3.35 3.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.655 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.512 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 6.8 mtp180 -47.53 -50.99 47.43 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.517 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.682 ' HG2' ' O ' ' A' ' 13' ' ' LEU . 53.5 Cg_exo -47.14 -50.94 10.2 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.768 2.312 . . . . 0.0 112.077 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.447 ' HB2' HD13 ' A' ' 13' ' ' LEU . . . -61.11 -46.29 91.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.481 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 68.2 mtp -63.25 -45.73 90.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.499 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -64.39 -39.14 93.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.442 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.459 HD21 ' CG2' ' A' ' 79' ' ' VAL . 1.7 mt -49.04 -45.3 42.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.525 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.53 ' CE1' ' O ' ' A' ' 46' ' ' ALA . 3.8 m-85 -55.58 -38.21 69.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.459 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -73.5 -35.41 65.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.451 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.661 HD22 ' CE1' ' A' ' 30' ' ' PHE . 66.1 mt -62.43 -44.21 96.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.47 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 48.2 mmm -56.06 -32.16 63.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.492 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -80.56 -43.21 21.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.534 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.78 -40.04 75.96 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.661 ' CE1' HD22 ' A' ' 26' ' ' LEU . 5.7 m-30 -98.82 158.6 15.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.791 0.329 . . . . 0.0 110.479 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.475 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 11.8 m-20 -103.17 92.95 4.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.527 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 174.49 154.36 0.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.552 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -99.54 127.38 45.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.601 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 81.8 t -106.67 138.32 32.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.583 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.7 tt -137.53 132.39 33.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.558 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.578 HD22 HG22 ' A' ' 65' ' ' VAL . 21.5 mt -107.18 150.58 26.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.555 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.8 ttp180 -150.87 135.94 17.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.617 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.544 HD21 HD23 ' A' ' 55' ' ' LEU . 93.2 m-20 -89.09 154.46 20.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.599 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.406 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 39.9 p-10 -56.28 -22.93 33.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.576 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -69.72 -17.49 63.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.598 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 102.56 10.09 39.17 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.4 m -86.96 116.28 24.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.824 0.345 . . . . 0.0 110.519 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -79.43 105.65 10.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.55 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.667 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -93.66 64.75 3.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.557 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.527 ' HG2' ' H ' ' A' ' 47' ' ' ASN . 72.3 tt0 -39.24 120.94 1.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.562 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.53 ' O ' ' CE1' ' A' ' 24' ' ' PHE . . . -59.27 -7.68 1.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.538 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.527 ' H ' ' HG2' ' A' ' 45' ' ' GLU . 28.7 t-20 -108.0 42.7 1.31 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.577 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.63 124.44 5.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.571 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.444 HG23 ' N ' ' A' ' 50' ' ' ILE . 34.5 m -64.3 -38.95 83.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.559 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.444 ' N ' HG23 ' A' ' 49' ' ' VAL . 88.3 mt -61.05 -35.92 68.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.623 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.667 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -65.36 -41.66 93.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.631 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 44.1 tp -59.97 -39.55 86.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.564 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.5 mt -63.76 -36.33 83.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.591 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 59.4 mtt -67.21 -38.72 85.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.539 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.544 HD23 HD21 ' A' ' 38' ' ' ASN . 96.6 mt -61.78 -26.95 68.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.488 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -53.71 -38.12 63.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.548 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 44.6 t -76.9 1.67 16.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.578 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.664 ' O ' HG21 ' A' ' 9' ' ' ILE . . . -90.02 30.57 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.556 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -75.44 95.41 3.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.571 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.52 4.69 40.15 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -104.09 167.79 9.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.766 0.317 . . . . 0.0 110.581 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -99.88 142.15 31.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.626 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.1 pt -130.06 163.49 35.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.588 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -120.72 108.02 13.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.547 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.578 HG22 HD22 ' A' ' 36' ' ' LEU . 94.1 t -89.88 126.18 42.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.613 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -122.2 138.07 54.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.555 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.1 134.44 34.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.494 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.491 ' OG1' HG23 ' A' ' 2' ' ' THR . 29.8 m -131.05 132.37 44.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.491 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.484 ' N ' ' HB3' ' A' ' 72' ' ' GLU . . . 141.37 167.12 11.04 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -47.87 -43.96 28.28 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.84 2.36 . . . . 0.0 112.123 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -106.18 30.33 6.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.595 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.484 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 14.4 pt-20 -59.39 -38.08 79.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.565 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -64.06 -47.27 80.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.52 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -55.05 -51.04 67.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.519 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.63 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -53.04 -47.69 68.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.535 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.0 -44.74 95.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.514 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.85 -43.14 94.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.542 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.99 -43.3 99.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.531 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 75' ' ' ALA . 60.9 t -67.25 -44.69 87.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.477 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 45.2 mt -63.12 -40.72 90.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.47 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.96 -34.6 76.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.509 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -70.89 -40.66 72.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.527 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.533 ' CD1' ' N ' ' A' ' 83' ' ' PHE . 7.6 m-30 -68.46 -31.63 71.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.548 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.745 ' O ' ' OG ' ' A' ' 85' ' ' SER . 84.2 m-20 -96.02 -7.05 37.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.592 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.745 ' OG ' ' O ' ' A' ' 84' ' ' ASN . 31.1 p . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.554 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.453 ' C ' ' OG1' ' A' ' 2' ' ' THR . 73.7 mtm . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.453 ' OG1' ' C ' ' A' ' 1' ' ' MET . 0.0 OUTLIER 62.71 120.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.489 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.551 ' O ' HG13 ' A' ' 3' ' ' VAL . 13.5 p -138.4 122.97 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.627 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 3.9 pttm -123.27 168.38 12.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.515 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.541 ' HB2' HD21 ' A' ' 76' ' ' LEU . 6.8 mt-30 -165.62 134.22 3.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.612 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.19 127.2 32.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.618 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.2 t -123.41 130.27 74.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.47 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -86.72 122.7 30.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.552 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 65.1 mt -81.73 114.78 23.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.576 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.914 HG22 ' O ' ' A' ' 10' ' ' THR . 6.4 m -84.23 60.4 5.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.5 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.7 m120 60.74 23.35 13.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.462 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.3 mttp -178.17 125.94 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.595 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.4 mt -65.32 -6.82 10.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.475 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 165.09 -138.29 5.17 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.541 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 96.2 mmm -79.97 -36.17 36.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.814 0.34 . . . . 0.0 110.527 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.585 ' C ' ' H ' ' A' ' 18' ' ' ARG . 0.3 OUTLIER 158.76 83.71 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.57 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 55.74 -0.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.507 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.585 ' H ' ' C ' ' A' ' 16' ' ' HIS . 1.7 mmt180 -50.17 -55.68 23.17 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.578 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 18' ' ' ARG . 47.5 Cg_endo -72.29 -50.33 0.25 Allowed 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.784 2.323 . . . . 0.0 112.093 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.501 ' HB1' HD22 ' A' ' 52' ' ' LEU . . . -48.41 -53.12 18.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.477 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 44.8 mtm -63.54 -50.42 69.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.473 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -59.35 -33.17 70.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.497 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.651 HD21 ' CG2' ' A' ' 79' ' ' VAL . 2.7 mt -48.82 -51.54 28.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.465 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -51.9 -41.82 62.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.416 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -75.76 -35.25 60.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.462 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.604 HD11 ' CZ ' ' A' ' 30' ' ' PHE . 34.2 tp -63.83 -42.81 97.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.506 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.452 ' O ' ' O ' ' A' ' 30' ' ' PHE . 84.6 mtp -58.09 -32.65 68.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.527 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -66.19 -42.93 88.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.486 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.57 -32.31 34.29 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.604 ' CZ ' HD11 ' A' ' 26' ' ' LEU . 7.4 m-30 -93.61 133.04 37.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.752 0.311 . . . . 0.0 110.517 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.749 ' O ' ' HD2' ' A' ' 70' ' ' PRO . 84.9 m-20 -85.04 91.17 8.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.58 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.676 ' HB1' ' O ' ' A' ' 68' ' ' THR . . . 170.77 156.35 0.07 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.547 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -102.93 131.99 49.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.512 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 90.9 t -107.46 137.0 40.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.546 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.0 tt -134.57 131.98 38.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.532 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.547 HD23 HG22 ' A' ' 65' ' ' VAL . 7.2 mt -106.41 148.84 27.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.636 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.617 HH11 ' CG ' ' A' ' 43' ' ' GLU . 19.8 ttm180 -147.35 134.25 20.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.497 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.647 HD21 HD23 ' A' ' 55' ' ' LEU . 93.4 m-20 -91.36 157.89 16.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.639 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 59.5 t0 -53.48 -28.76 32.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.611 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -67.83 -11.73 59.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.582 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.69 14.91 57.59 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.4 m -84.03 114.56 21.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.778 0.323 . . . . 0.0 110.496 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.617 ' CG ' HH11 ' A' ' 37' ' ' ARG . 98.6 mt-10 -74.55 104.92 5.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.577 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.646 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -96.06 68.28 2.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.532 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.517 ' C ' ' H ' ' A' ' 47' ' ' ASN . 93.9 mt-10 -40.36 120.86 1.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.623 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.48 13.19 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.547 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.517 ' H ' ' C ' ' A' ' 45' ' ' GLU . 0.5 OUTLIER -117.62 19.07 14.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.625 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.2 t -143.8 129.93 19.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.597 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.432 HG22 ' H ' ' A' ' 49' ' ' VAL . 12.0 m -64.23 -31.36 53.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.597 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 83.7 mt -61.81 -39.61 84.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.637 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.646 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -66.71 -41.33 88.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.568 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.501 HD22 ' HB1' ' A' ' 20' ' ' ALA . 79.8 mt -58.76 -36.85 75.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.605 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -67.37 -36.15 80.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.547 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 60.7 mtt -67.47 -39.15 85.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.525 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.647 HD23 HD21 ' A' ' 38' ' ' ASN . 96.5 mt -61.18 -36.95 81.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.546 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.408 ' OD1' ' O ' ' A' ' 56' ' ' ASP . 66.3 t0 -48.67 -34.52 12.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.554 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.408 ' C ' ' H ' ' A' ' 59' ' ' LYS . 89.6 p -77.02 -7.68 56.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.533 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -79.65 28.86 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.544 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.44 ' HG2' ' H ' ' A' ' 59' ' ' LYS . 28.7 pttt -70.43 98.2 1.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.616 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.11 0.74 41.52 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 65.3 mtp85 -103.78 160.83 14.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 0.0 110.581 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -92.89 147.32 22.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.613 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.404 HD13 HG21 ' A' ' 63' ' ' ILE . 16.4 pt -132.83 159.71 43.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.557 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -119.64 97.54 5.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.566 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.547 HG22 HD23 ' A' ' 36' ' ' LEU . 14.9 t -79.0 128.36 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.576 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -126.94 140.51 52.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.472 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.09 137.46 37.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.579 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.676 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 39.3 m -125.26 142.2 51.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.556 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 127.89 -177.2 17.72 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.749 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 44.3 Cg_endo -71.7 -30.88 13.96 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.828 2.352 . . . . 0.0 112.087 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.57 ' NE2' ' HA ' ' A' ' 30' ' ' PHE . 35.2 mt-30 -102.43 9.8 39.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.597 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.448 ' CG ' ' N ' ' A' ' 73' ' ' GLU . 22.3 pt-20 -46.57 -45.63 18.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.518 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.448 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 1.9 pt-20 -60.1 -44.49 94.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.515 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.405 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 90.5 mt-10 -61.58 -49.99 74.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.563 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.556 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -58.09 -47.37 83.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.465 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.541 HD21 ' HB2' ' A' ' 5' ' ' GLN . 3.4 tp -64.24 -45.97 85.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.519 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.53 -42.3 99.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.505 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.36 -45.32 93.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.478 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.651 ' CG2' HD21 ' A' ' 23' ' ' LEU . 96.8 t -68.08 -45.02 84.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.533 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 59.0 mt -62.55 -44.0 98.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.442 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.85 -34.04 73.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.49 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -74.21 -40.88 62.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.549 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -67.59 -33.33 74.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.565 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.576 ' O ' ' C ' ' A' ' 85' ' ' SER . 89.5 m-20 -93.86 -4.57 49.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.528 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.576 ' C ' ' O ' ' A' ' 84' ' ' ASN . 11.4 t . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.554 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.9 mtm . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.794 HG22 ' OG1' ' A' ' 68' ' ' THR . 67.5 p -83.2 159.67 21.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.51 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 94.1 t -137.02 117.49 17.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.576 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.623 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 48.3 pttt -123.25 174.52 7.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.645 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.623 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 33.8 mt-30 -163.86 134.58 4.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.479 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.17 124.62 28.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.641 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 93.2 t -125.08 133.21 70.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.512 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.462 ' OE1' ' N ' ' A' ' 8' ' ' GLU . 37.6 mp0 -88.22 128.1 35.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.541 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.425 HD12 ' HB1' ' A' ' 58' ' ' ALA . 36.5 mt -82.12 125.39 39.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.538 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.611 ' O ' ' HB2' ' A' ' 11' ' ' ASN . 22.2 m -120.88 103.71 9.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.551 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.718 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 63.9 m-20 81.42 -47.46 0.23 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.489 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.718 ' HG3' ' O ' ' A' ' 11' ' ' ASN . 95.8 mttt -166.95 177.47 6.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.555 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.2 mt -62.04 -28.3 69.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.562 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 172.1 -136.51 3.85 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.412 ' O ' ' N ' ' A' ' 17' ' ' ALA . 97.6 mtp -75.83 98.89 4.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.811 0.339 . . . . 0.0 110.514 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 56.75 -88.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.551 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 15' ' ' MET . . . -157.43 9.36 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.48 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.551 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 38.9 mtt180 -58.8 -48.51 96.69 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.57 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 18' ' ' ARG . 52.5 Cg_exo -47.74 -53.3 6.75 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.685 2.257 . . . . 0.0 112.113 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.492 ' HB1' ' CD2' ' A' ' 52' ' ' LEU . . . -64.62 -41.47 96.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.469 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 11.1 mmt -71.04 -48.03 55.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.472 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.8 tttm -61.3 -34.25 74.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.52 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.531 HD22 HG21 ' A' ' 34' ' ' VAL . 1.0 OUTLIER -46.73 -46.03 20.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.499 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.421 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 23.4 m-85 -56.7 -39.55 74.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.483 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -69.97 -37.82 75.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.417 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.614 ' O ' ' N ' ' A' ' 30' ' ' PHE . 5.8 mp -64.55 -43.18 94.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.49 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 83.9 mtp -56.94 -35.92 69.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.489 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -65.1 -41.17 95.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.488 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.15 -19.23 39.96 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.614 ' N ' ' O ' ' A' ' 26' ' ' LEU . 13.2 m-85 -100.73 122.7 43.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.821 0.343 . . . . 0.0 110.538 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.646 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 11.6 m-20 -79.33 95.35 5.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.596 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.646 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 163.75 153.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.615 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -101.17 129.24 47.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.618 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.531 HG21 HD22 ' A' ' 23' ' ' LEU . 27.6 m -108.1 142.19 21.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.517 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 tt -140.22 138.44 35.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.607 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 mp -109.45 149.87 28.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.602 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -148.85 135.75 19.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.614 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.726 HD21 HD23 ' A' ' 55' ' ' LEU . 96.4 m-20 -91.17 157.92 16.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.561 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 59.4 t0 -54.04 -28.2 37.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.591 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.61 ' OE2' ' NH2' ' A' ' 61' ' ' ARG . 43.8 mt-10 -66.56 -9.33 34.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.533 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.41 5.36 65.35 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.6 m -78.01 117.99 19.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.727 0.299 . . . . 0.0 110.59 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.4 ' H ' ' CD ' ' A' ' 43' ' ' GLU . 6.0 pm0 -81.58 103.31 11.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.579 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.592 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -90.6 70.29 6.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.535 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -38.8 120.54 0.97 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.574 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.447 ' CB ' HG23 ' A' ' 34' ' ' VAL . . . -57.92 -27.58 63.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.511 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -90.8 42.97 1.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.573 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.9 t -154.81 120.58 5.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.551 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.3 m -66.72 -32.51 58.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.629 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 86.9 mt -61.52 -36.36 72.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.581 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.592 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -69.67 -42.53 74.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.564 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.492 ' CD2' ' HB1' ' A' ' 20' ' ' ALA . 5.9 mp -56.21 -39.44 72.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.524 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.831 ' O ' HD23 ' A' ' 53' ' ' LEU . 1.7 tt -67.76 -35.75 79.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.539 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 14.3 tpt -70.36 -33.64 71.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.472 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.726 HD23 HD21 ' A' ' 38' ' ' ASN . 94.9 mt -63.5 -26.2 68.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.61 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' A' ' 56' ' ' ASP . 67.1 t0 -51.72 -33.19 33.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.558 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 84.8 p -78.75 -5.74 54.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.516 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.425 ' HB1' HD12 ' A' ' 9' ' ' ILE . . . -80.2 13.02 2.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.514 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.407 ' HG2' ' H ' ' A' ' 59' ' ' LYS . 31.1 pttt -60.76 97.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.562 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 103.65 1.68 46.51 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.61 ' NH2' ' OE2' ' A' ' 40' ' ' GLU . 25.1 mtp180 -103.7 159.66 15.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.776 0.322 . . . . 0.0 110.563 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -91.37 145.81 24.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.617 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 20.4 pt -132.69 161.0 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.588 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -121.78 100.04 6.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.591 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 8.6 t -81.0 128.78 38.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.538 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 75.4 tt0 -124.12 140.06 53.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.567 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.93 135.93 36.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.642 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.794 ' OG1' HG22 ' A' ' 2' ' ' THR . 28.8 m -130.01 131.49 45.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.52 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.473 ' N ' ' HB3' ' A' ' 72' ' ' GLU . . . 138.05 167.4 11.01 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -47.78 -43.72 28.39 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.792 2.328 . . . . 0.0 112.045 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.558 ' NE2' ' OD2' ' A' ' 31' ' ' ASP . 79.0 mt-30 -98.36 20.4 12.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.578 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.473 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 22.7 pt-20 -52.78 -43.0 65.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.591 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.462 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 91.1 mt-10 -66.67 -45.29 79.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.501 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -63.7 -49.88 71.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.532 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.555 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -56.56 -48.12 78.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.481 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.9 tp -63.72 -43.84 95.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.522 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.62 -42.44 96.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.498 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.19 -44.29 95.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.482 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 75' ' ' ALA . 45.4 t -66.65 -43.21 90.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.463 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 68.3 mt -63.22 -42.19 95.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.556 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.16 -36.27 83.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.481 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 55.5 mt -72.35 -38.66 68.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.514 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -68.18 -31.88 71.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.573 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.581 ' O ' ' CB ' ' A' ' 85' ' ' SER . 86.8 m-20 -79.26 -9.21 59.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.503 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.581 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.022 -0.99 . . . . 0.0 110.541 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.566 ' O ' HG23 ' A' ' 68' ' ' THR . 23.0 ttt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.48 HG21 ' OE2' ' A' ' 66' ' ' GLU . 2.6 m -131.35 134.97 46.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.621 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.751 HG23 ' OE2' ' A' ' 72' ' ' GLU . 78.6 t -129.86 111.22 21.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.481 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.568 ' HD3' ' H ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -111.34 151.82 27.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.552 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.447 ' OE1' HD11 ' A' ' 80' ' ' ILE . 55.4 tt0 -158.96 133.16 7.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.558 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.06 138.67 37.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.617 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 93.8 t -138.15 128.2 34.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.468 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -71.23 131.29 43.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.656 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.897 HG21 ' O ' ' A' ' 58' ' ' ALA . 4.8 mm -83.94 118.65 31.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.532 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.811 ' O ' HG23 ' A' ' 10' ' ' THR . 10.0 t -134.6 102.94 5.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.635 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.805 ' HB2' ' O ' ' A' ' 10' ' ' THR . 98.2 m-20 83.87 26.92 0.09 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.609 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.584 ' CB ' ' O ' ' A' ' 11' ' ' ASN . 19.5 mttp 88.81 -164.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.643 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.777 HD12 ' HB2' ' A' ' 20' ' ' ALA . 23.3 mt -73.73 26.31 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.634 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.502 ' H ' ' C ' ' A' ' 12' ' ' LYS . . . 121.76 -112.73 2.11 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 22.0 mmt -74.9 -147.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.85 0.357 . . . . 0.0 110.619 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.628 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 77.7 t60 -64.01 -30.5 71.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.572 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.628 ' HB2' ' O ' ' A' ' 16' ' ' HIS . . . 165.51 4.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.601 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.548 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 16.0 mtm180 -56.56 -47.99 97.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.595 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.6 ' CB ' ' O ' ' A' ' 13' ' ' LEU . 51.2 Cg_exo -48.17 -54.46 5.23 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.738 2.292 . . . . 0.0 112.111 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.782 ' HB1' HD22 ' A' ' 52' ' ' LEU . . . -63.35 -42.33 98.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.577 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 14.6 mmt -69.0 -41.53 77.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.482 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.8 tptt -63.56 -36.7 84.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.515 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.463 HD21 ' CG2' ' A' ' 79' ' ' VAL . 1.5 mt -49.01 -46.39 43.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.46 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.477 ' CE1' ' O ' ' A' ' 46' ' ' ALA . 6.1 m-85 -54.11 -40.02 66.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.492 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -72.61 -35.92 67.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.525 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.54 HD22 ' CE1' ' A' ' 30' ' ' PHE . 57.0 mt -63.02 -44.25 96.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.54 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.48 ' O ' ' O ' ' A' ' 30' ' ' PHE . 59.7 mtp -56.7 -35.68 68.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.557 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -73.19 -44.61 59.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.508 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.69 -33.35 63.5 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.54 ' CE1' HD22 ' A' ' 26' ' ' LEU . 5.9 m-30 -102.36 148.23 25.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.844 0.354 . . . . 0.0 110.593 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.543 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 92.6 m-20 -93.91 93.84 8.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.521 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.543 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 170.2 153.53 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.491 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 68' ' ' THR . 85.8 tt0 -98.26 133.88 42.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.591 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 73.8 t -107.8 140.18 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.478 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.414 HD21 ' CD ' ' A' ' 37' ' ' ARG . 1.2 tt -139.76 132.86 29.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.647 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.576 HD22 HG22 ' A' ' 65' ' ' VAL . 48.8 mt -108.82 151.25 26.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.49 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.414 ' CD ' HD21 ' A' ' 35' ' ' LEU . 56.5 mtp180 -148.35 134.32 19.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.538 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.812 HD21 HD23 ' A' ' 55' ' ' LEU . 79.0 m-20 -93.23 156.22 16.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.638 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.427 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 62.8 t0 -57.18 -29.9 64.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.613 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -65.61 -19.46 65.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.587 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 103.05 12.09 32.61 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 83.9 m -86.45 112.58 21.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 110.548 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -79.98 106.2 11.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.594 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.653 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -94.76 71.82 3.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.568 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.433 ' C ' ' H ' ' A' ' 47' ' ' ASN . 97.3 mt-10 -38.53 120.65 0.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.566 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.477 ' O ' ' CE1' ' A' ' 24' ' ' PHE . . . -64.38 0.29 1.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.604 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.433 ' H ' ' C ' ' A' ' 45' ' ' GLU . 54.1 p30 -112.52 27.9 9.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.611 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.5 m -144.67 125.41 14.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.615 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 35.4 m -65.46 -34.65 71.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.654 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 84.5 mt -61.54 -36.6 74.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.604 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.653 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -67.72 -40.69 84.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.562 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.782 HD22 ' HB1' ' A' ' 20' ' ' ALA . 91.9 mt -60.26 -39.04 85.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.584 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.779 ' O ' HD23 ' A' ' 53' ' ' LEU . 1.2 tt -68.14 -32.28 72.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.559 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 14.9 tpt -70.23 -36.08 74.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.571 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.812 HD23 HD21 ' A' ' 38' ' ' ASN . 97.6 mt -64.46 -23.1 67.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.583 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.411 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 66.4 t0 -51.07 -36.38 39.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.552 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.427 ' C ' ' H ' ' A' ' 59' ' ' LYS . 94.5 p -75.76 -8.15 56.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.481 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.897 ' O ' HG21 ' A' ' 9' ' ' ILE . . . -77.97 32.65 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.573 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.427 ' H ' ' C ' ' A' ' 57' ' ' SER . 65.4 tttp -75.41 96.18 3.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.532 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 103.23 5.71 46.03 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.441 ' O ' ' HB ' ' A' ' 9' ' ' ILE . 87.4 mtt-85 -102.45 164.42 11.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.801 0.334 . . . . 0.0 110.581 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -99.34 143.67 29.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.565 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.401 HG21 HD13 ' A' ' 63' ' ' ILE . 15.8 pt -133.74 161.02 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.58 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -119.27 104.24 10.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.531 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.576 HG22 HD22 ' A' ' 36' ' ' LEU . 36.0 t -84.0 128.2 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.563 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.48 ' OE2' HG21 ' A' ' 2' ' ' THR . 14.5 tt0 -124.6 139.51 53.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.548 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.57 136.07 37.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.501 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.566 HG23 ' O ' ' A' ' 1' ' ' MET . 3.8 m -129.2 131.01 47.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.578 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.491 ' N ' ' HB3' ' A' ' 72' ' ' GLU . . . 139.83 164.66 9.98 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -47.24 -45.39 22.13 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.801 2.334 . . . . 0.0 112.145 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -99.61 20.93 13.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.599 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.751 ' OE2' HG23 ' A' ' 3' ' ' VAL . 12.4 pt-20 -51.76 -38.16 54.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.601 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -64.32 -47.91 77.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.576 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 73.9 tt0 -53.47 -50.81 64.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.51 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.707 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -55.17 -48.24 74.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.584 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.96 -45.99 91.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.498 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.15 -42.32 99.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.542 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.16 -43.75 98.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.575 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 75' ' ' ALA . 49.4 t -66.37 -43.7 91.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.601 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.447 HD11 ' OE1' ' A' ' 5' ' ' GLN . 56.4 mt -64.29 -41.24 91.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.488 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.66 -36.01 82.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.608 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.0 mt -72.43 -37.58 68.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.512 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -68.7 -31.56 70.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.578 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.698 ' O ' ' OG ' ' A' ' 85' ' ' SER . 83.2 m-20 -81.2 -6.03 58.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.543 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.698 ' OG ' ' O ' ' A' ' 84' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 118.033 -0.985 . . . . 0.0 110.548 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.5 ttp . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.601 HG22 ' OG1' ' A' ' 68' ' ' THR . 72.0 p -83.2 162.7 21.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.58 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.5 t -134.4 118.67 27.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.454 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 46.0 pttt -125.3 176.01 7.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.59 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.594 ' HB2' HD21 ' A' ' 76' ' ' LEU . 3.9 mt-30 -166.95 135.11 2.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.466 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.28 125.85 32.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.614 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 94.2 t -131.3 131.76 63.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.523 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -76.58 131.0 38.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.608 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.74 HG21 ' O ' ' A' ' 58' ' ' ALA . 6.7 mm -81.01 119.79 31.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.588 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.785 ' O ' HG23 ' A' ' 10' ' ' THR . 13.9 t -130.69 103.58 6.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.535 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.74 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 49.0 t30 80.05 30.07 0.25 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.548 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.74 ' HB2' ' O ' ' A' ' 11' ' ' ASN . 92.6 mttt 86.87 -162.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.564 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.844 HD13 ' HB2' ' A' ' 20' ' ' ALA . 36.7 mt -66.51 4.86 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.543 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.467 ' H ' ' C ' ' A' ' 12' ' ' LYS . . . 121.95 -108.34 1.29 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 95.9 mtp -90.71 96.92 10.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.767 0.317 . . . . 0.0 110.551 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 80.7 m80 59.46 -116.17 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.579 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -132.97 10.58 4.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.584 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.518 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 6.1 mtm180 -51.9 -50.28 78.98 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.593 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 18' ' ' ARG . 53.4 Cg_exo -47.35 -58.13 1.91 Allowed 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.823 2.348 . . . . 0.0 112.138 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.844 ' HB2' HD13 ' A' ' 13' ' ' LEU . . . -59.43 -45.56 91.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.546 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 48.4 mtt -63.92 -44.82 91.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.511 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -63.61 -35.75 81.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.508 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.708 HD22 HG21 ' A' ' 34' ' ' VAL . 2.1 mt -47.29 -46.82 25.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.504 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.563 ' CE1' ' O ' ' A' ' 46' ' ' ALA . 9.8 m-85 -50.04 -37.08 31.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.455 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -78.05 -34.58 50.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.552 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.7 mt -61.34 -49.53 76.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.522 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.6 ' HG3' ' N ' ' A' ' 28' ' ' GLN . 2.1 ppp? -56.62 -31.41 64.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.545 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.6 ' N ' ' HG3' ' A' ' 27' ' ' MET . 68.2 mt-30 -79.11 -43.48 23.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.55 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.74 -36.24 74.8 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.461 ' CD2' ' N ' ' A' ' 30' ' ' PHE . 4.6 m-85 -100.85 162.21 13.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.35 . . . . 0.0 110.521 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.605 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 93.2 m-20 -100.75 92.92 5.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.543 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.605 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 167.28 157.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.549 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 68' ' ' THR . 86.8 tt0 -102.83 133.14 48.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.617 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.708 HG21 HD22 ' A' ' 23' ' ' LEU . 28.5 m -108.13 142.47 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.56 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 tt -142.44 137.99 30.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.56 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.654 HD23 HG22 ' A' ' 65' ' ' VAL . 9.9 mt -109.42 150.88 27.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.574 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -150.1 137.99 20.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.625 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.616 HD21 HD23 ' A' ' 55' ' ' LEU . 88.7 m-20 -91.68 154.76 18.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.571 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.469 ' OD1' ' N ' ' A' ' 40' ' ' GLU . 49.6 p-10 -54.86 -23.7 19.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.562 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.469 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 99.1 mt-10 -70.11 -16.19 63.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.571 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.92 9.96 47.52 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.6 m -85.16 115.32 22.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.711 0.291 . . . . 0.0 110.646 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -77.6 104.6 8.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.609 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.664 ' HA ' ' HB1' ' A' ' 51' ' ' ALA . . . -91.32 64.6 5.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.54 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -41.33 120.25 1.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.61 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.563 ' O ' ' CE1' ' A' ' 24' ' ' PHE . . . -62.75 -14.49 45.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.606 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.404 ' OD1' ' C ' ' A' ' 47' ' ' ASN . 45.2 p-10 -90.47 16.68 8.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.583 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 m -137.09 122.78 19.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.589 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.465 HG22 ' H ' ' A' ' 49' ' ' VAL . 3.7 m -64.03 -34.66 70.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.566 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 84.0 mt -62.41 -36.23 73.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.5 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.664 ' HB1' ' HA ' ' A' ' 44' ' ' ALA . . . -66.67 -40.83 88.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.573 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.611 HD22 ' HB1' ' A' ' 20' ' ' ALA . 91.9 mt -60.11 -36.85 78.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.573 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.3 tp -66.42 -36.39 82.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.587 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 20.4 mmt -66.54 -36.14 81.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.611 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.616 HD23 HD21 ' A' ' 38' ' ' ASN . 96.2 mt -63.76 -25.57 68.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.662 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -52.06 -36.92 52.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.553 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.472 ' C ' ' H ' ' A' ' 59' ' ' LYS . 92.6 p -76.87 -7.04 54.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.63 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.74 ' O ' HG21 ' A' ' 9' ' ' ILE . . . -75.99 29.99 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.58 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.472 ' H ' ' C ' ' A' ' 57' ' ' SER . 29.9 pttt -74.74 94.09 2.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.506 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 104.96 3.21 42.37 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.4 mtp85 -101.14 165.54 11.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.837 0.351 . . . . 0.0 110.564 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -100.51 142.79 31.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.599 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 21.5 pt -130.4 162.87 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.535 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -122.03 104.43 9.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.566 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.654 HG22 HD23 ' A' ' 36' ' ' LEU . 21.0 t -85.07 124.33 39.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.547 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -121.29 140.35 52.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.623 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.51 132.8 33.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.509 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.601 ' OG1' HG22 ' A' ' 2' ' ' THR . 29.4 m -122.53 131.19 53.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.569 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.478 ' HA3' ' CB ' ' A' ' 32' ' ' ALA . . . 139.47 163.94 9.7 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -47.36 -46.94 18.72 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.844 2.363 . . . . 0.0 112.158 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.53 ' O ' ' N ' ' A' ' 74' ' ' GLU . 76.9 mt-30 -92.65 5.99 48.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.606 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.475 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 23.4 pt-20 -34.78 -37.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.553 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.479 ' HG3' ' H ' ' A' ' 74' ' ' GLU . 2.2 pt-20 -65.74 -47.27 75.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.606 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.53 ' N ' ' O ' ' A' ' 71' ' ' GLN . 35.2 tp10 -55.71 -52.46 63.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.582 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.498 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -54.76 -46.5 74.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.463 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.594 HD21 ' HB2' ' A' ' 5' ' ' GLN . 57.5 tp -65.47 -43.16 91.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.532 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.73 -42.39 98.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.584 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.47 -43.22 99.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.511 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.546 ' CG2' HD21 ' A' ' 23' ' ' LEU . 85.7 t -67.1 -41.75 87.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.513 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 47.3 mt -67.01 -38.89 82.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.55 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.35 -37.36 85.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.467 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.3 mt -68.34 -38.88 81.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.454 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.571 ' CD2' ' N ' ' A' ' 83' ' ' PHE . 6.7 m-30 -72.23 -29.14 63.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.521 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.518 ' OD1' ' O ' ' A' ' 84' ' ' ASN . 65.0 t-20 -73.78 -18.44 60.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.502 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.467 ' OXT' ' O ' ' A' ' 84' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.49 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.7 t . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.788 0.328 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 20.7 pttp -125.52 174.15 8.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.557 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.646 ' HB2' HD21 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -162.9 131.69 4.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.559 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.45 128.18 33.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.541 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 89.1 t -129.38 124.28 59.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.562 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -80.67 126.63 31.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.662 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.5 mm . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.559 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo . . . . . 0 N--CA 1.491 1.326 0 CA-C-O 120.839 0.266 . . . . 0.0 112.086 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.424 ' HB1' HD22 ' A' ' 52' ' ' LEU . . . -59.86 -45.72 91.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.545 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 94.0 mtp -67.07 -41.62 86.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.515 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.3 mmtm -62.74 -37.76 87.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.502 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.493 HD21 ' CG2' ' A' ' 79' ' ' VAL . 2.0 mt -49.85 -46.21 51.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.537 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.518 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 13.2 m-85 -55.72 -38.83 70.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.55 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -73.87 -35.66 64.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.505 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.668 HD22 ' CE1' ' A' ' 30' ' ' PHE . 85.7 mt -67.16 -43.31 82.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.469 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 5.0 ttt -55.59 -28.78 57.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.546 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -84.51 -33.73 23.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.562 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.12 -36.15 32.33 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.668 ' CE1' HD22 ' A' ' 26' ' ' LEU . 7.5 m-85 -100.95 160.19 14.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.753 0.311 . . . . 0.0 110.558 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.532 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 68.2 t0 -103.26 93.05 4.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.542 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.532 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 170.97 158.09 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.603 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -102.45 126.16 49.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.541 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 91.5 t -103.68 135.07 43.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.556 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.1 tt -136.36 137.36 40.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.561 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.463 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 1.4 mp -108.64 150.13 27.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.537 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.497 HH11 ' CG ' ' A' ' 43' ' ' GLU . 17.7 ttm180 -147.39 135.59 21.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.574 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.579 HD21 HD23 ' A' ' 55' ' ' LEU . 88.1 m-20 -91.78 156.48 17.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.56 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -52.75 -28.22 21.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.59 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.632 ' OE2' ' NH2' ' A' ' 61' ' ' ARG . 44.3 mt-10 -67.73 -11.16 57.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.567 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.71 11.63 58.98 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 m -84.35 117.21 23.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.827 0.346 . . . . 0.0 110.552 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.497 ' CG ' HH11 ' A' ' 37' ' ' ARG . 96.3 mt-10 -77.93 103.24 7.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.581 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.651 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.27 65.34 7.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.58 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -40.94 120.53 1.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.553 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.518 ' O ' ' CZ ' ' A' ' 24' ' ' PHE . . . -62.84 -8.72 7.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.547 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.406 ' OD1' ' C ' ' A' ' 47' ' ' ASN . 47.5 p30 -100.44 26.7 6.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.556 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 t -145.09 124.23 12.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.518 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.5 m -63.98 -35.07 72.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.618 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 85.1 mt -61.96 -36.46 74.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.614 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.651 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -66.11 -42.43 89.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.545 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.424 HD22 ' HB1' ' A' ' 20' ' ' ALA . 43.4 tp -58.41 -38.48 77.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.547 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 7.2 mt -65.33 -36.76 85.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.546 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 22.8 mmt -67.77 -37.76 82.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.545 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.579 HD23 HD21 ' A' ' 38' ' ' ASN . 96.5 mt -62.52 -34.36 76.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.588 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -54.07 -34.2 59.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.567 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 84.7 p -77.49 -6.54 53.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.616 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -82.87 29.36 0.46 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.549 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -69.37 97.27 0.95 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.616 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.88 4.98 39.0 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.632 ' NH2' ' OE2' ' A' ' 40' ' ' GLU . 29.8 mtp180 -106.23 164.92 11.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.796 0.331 . . . . 0.0 110.602 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -98.7 143.67 28.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.62 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.5 pt -130.89 163.87 35.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.569 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -124.86 101.72 7.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.52 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 21.3 t -81.63 126.63 39.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.546 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -119.38 138.5 53.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.568 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.07 131.23 32.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.571 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.526 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 54.8 m -123.9 129.78 51.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.501 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.46 ' O ' ' HB3' ' A' ' 72' ' ' GLU . . . 141.67 162.18 9.06 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -47.91 -45.21 25.34 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.817 2.344 . . . . 0.0 112.08 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 74' ' ' GLU . 77.1 mt-30 -94.14 6.84 47.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.527 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.46 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 21.1 pt-20 -38.25 -35.8 0.19 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.53 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -64.59 -49.17 72.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.522 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 71' ' ' GLN . 75.5 tt0 -57.41 -52.36 65.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.52 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.677 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -54.43 -49.77 69.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.496 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.646 HD21 ' HB2' ' A' ' 5' ' ' GLN . 56.6 tp -64.27 -44.66 91.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.463 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.37 -42.44 99.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.445 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.19 -44.4 97.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.462 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 75' ' ' ALA . 51.3 t -66.02 -43.34 92.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.452 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 51.3 mt -64.07 -41.56 92.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.443 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.81 -36.71 84.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.486 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 65.0 mt -72.61 -39.75 67.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.448 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.521 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 6.0 m-30 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.553 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.578 ' O ' HG13 ' A' ' 3' ' ' VAL . 8.9 p . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.812 0.339 . . . . 0.0 110.467 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.0 pttt -124.59 172.0 9.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.564 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.685 ' HB2' HD21 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -164.05 130.57 3.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.504 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.44 128.19 33.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.624 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.8 t -131.47 126.33 58.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.517 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.2 mp0 -69.71 136.64 51.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.571 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.843 HG21 ' O ' ' A' ' 58' ' ' ALA . 3.4 mm . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.585 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo . . . . . 0 N--CA 1.492 1.385 0 CA-C-O 120.804 0.252 . . . . 0.0 112.118 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.581 ' HB1' HD11 ' A' ' 52' ' ' LEU . . . -60.29 -43.97 95.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.617 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 57.8 mtt -67.67 -41.13 84.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.605 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -61.16 -37.89 84.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.516 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.442 HD21 ' CG2' ' A' ' 79' ' ' VAL . 1.5 mt -48.92 -45.79 42.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.562 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -57.21 -40.27 77.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.506 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -72.87 -34.91 67.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.543 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.512 ' HG ' ' CE1' ' A' ' 30' ' ' PHE . 0.9 OUTLIER -69.05 -41.46 77.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.503 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.481 ' SD ' ' O ' ' A' ' 32' ' ' ALA . 14.3 mmm -53.82 -33.29 55.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.504 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -79.47 -39.66 31.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.539 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.95 -41.58 87.49 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.588 ' CD2' ' N ' ' A' ' 30' ' ' PHE . 5.3 m-30 -95.62 166.15 11.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.792 0.33 . . . . 0.0 110.548 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.512 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 13.7 m-20 -108.13 92.63 4.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.547 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 172.53 153.34 0.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.619 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 68' ' ' THR . 84.0 tt0 -98.33 135.3 40.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.555 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 83.6 t -107.73 138.28 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.521 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.442 HD21 ' NE ' ' A' ' 37' ' ' ARG . 0.9 OUTLIER -137.18 129.16 29.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.589 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.646 ' CD2' HG13 ' A' ' 65' ' ' VAL . 20.4 mt -106.29 152.83 23.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.591 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.442 ' NE ' HD21 ' A' ' 35' ' ' LEU . 92.4 mtt180 -146.91 133.84 20.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.605 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.592 HD21 ' HB2' ' A' ' 58' ' ' ALA . 4.2 t-20 -89.27 152.88 21.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.48 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.426 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 32.8 p-10 -52.51 -30.58 31.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.625 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -70.9 -4.78 26.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.528 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.22 18.92 58.31 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.5 m -85.41 110.53 19.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 110.545 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -71.72 104.58 3.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.552 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.649 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -100.4 77.2 1.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.512 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.432 ' C ' ' H ' ' A' ' 47' ' ' ASN . 96.4 mt-10 -40.25 121.44 1.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.578 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.436 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . . . -66.58 3.78 0.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.558 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.432 ' H ' ' C ' ' A' ' 45' ' ' GLU . 76.9 m-20 -119.81 28.74 7.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.518 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.8 t -143.87 126.96 16.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.577 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.404 HG22 ' H ' ' A' ' 49' ' ' VAL . 3.2 m -65.46 -32.65 59.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.547 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 83.6 mt -62.67 -37.5 79.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.562 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.649 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -65.71 -42.19 91.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.512 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.581 HD11 ' HB1' ' A' ' 20' ' ' ALA . 4.3 tp -58.05 -38.44 76.3 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.563 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.6 mt -59.24 -39.7 83.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.568 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 56.7 mtt -67.75 -40.32 84.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.499 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.509 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 91.2 mt -61.73 -31.35 71.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.547 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -49.69 -39.26 36.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.618 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.495 ' C ' ' H ' ' A' ' 59' ' ' LYS . 90.8 p -74.21 -9.24 58.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.633 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.843 ' O ' HG21 ' A' ' 9' ' ' ILE . . . -74.52 29.29 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.527 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.495 ' H ' ' C ' ' A' ' 57' ' ' SER . 88.8 tttt -70.34 96.33 1.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.469 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 101.0 9.19 46.09 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.46 ' O ' ' HB ' ' A' ' 9' ' ' ILE . 18.1 mmt180 -104.38 171.89 7.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.784 0.326 . . . . 0.0 110.553 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -106.51 141.66 37.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.638 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.4 HG21 HD13 ' A' ' 63' ' ' ILE . 21.9 pt -131.54 164.28 34.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.54 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -124.02 103.05 8.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.563 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.646 HG13 ' CD2' ' A' ' 36' ' ' LEU . 21.4 t -84.04 131.96 32.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.592 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -127.05 140.13 52.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.593 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -135.28 135.34 40.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.568 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 33' ' ' GLU . 31.3 m -129.1 131.25 47.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.575 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.45 ' N ' ' HB3' ' A' ' 72' ' ' GLU . . . 140.61 165.89 10.48 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -47.61 -42.95 29.02 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.876 2.384 . . . . 0.0 112.104 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -102.24 23.85 11.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.595 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.45 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 18.2 pt-20 -52.68 -39.15 61.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.611 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -65.07 -48.2 74.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.613 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -56.48 -48.24 77.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.6 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.696 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -57.24 -46.51 82.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.575 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.685 HD21 ' HB2' ' A' ' 5' ' ' GLN . 44.7 tp -64.22 -44.77 90.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.526 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.93 -42.39 98.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.592 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.76 -43.18 99.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.616 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 75' ' ' ALA . 42.0 t -67.59 -44.76 86.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.561 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 45.0 mt -63.35 -41.35 92.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.505 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.88 -34.73 78.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.485 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -72.98 -39.33 66.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.506 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.552 179.947 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.775 ' O ' HD11 ' A' ' 76' ' ' LEU . 88.7 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.804 0.335 . . . . 0.0 110.506 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.535 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 8.6 pttm -120.87 162.36 19.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.633 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.535 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 60.2 mt-30 -157.1 127.72 6.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.493 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.77 127.57 32.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.543 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 69.7 t -131.68 133.22 61.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.55 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -74.73 138.18 42.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.577 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.885 HG21 ' O ' ' A' ' 58' ' ' ALA . 15.2 mm . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.567 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo . . . . . 0 N--CA 1.491 1.371 0 CA-C-O 120.837 0.265 . . . . 0.0 112.052 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.578 ' HB1' HD22 ' A' ' 52' ' ' LEU . . . -61.09 -49.1 78.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.53 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 59.2 mtt -64.09 -42.48 96.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.477 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -63.43 -37.21 86.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.494 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.612 HD21 ' CG2' ' A' ' 79' ' ' VAL . 2.6 mt -54.3 -44.34 71.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.42 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -55.72 -39.98 71.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.458 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -72.09 -35.76 69.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.455 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.525 HD22 ' CE1' ' A' ' 30' ' ' PHE . 65.3 mt -63.54 -43.35 97.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.549 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.416 ' O ' ' O ' ' A' ' 30' ' ' PHE . 82.6 mtp -57.39 -35.72 70.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.529 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -74.1 -42.14 60.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.501 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.53 -35.42 59.48 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.525 ' CE1' HD22 ' A' ' 26' ' ' LEU . 6.8 m-30 -99.7 154.54 18.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.775 0.321 . . . . 0.0 110.537 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.828 ' O ' ' HD2' ' A' ' 70' ' ' PRO . 82.3 m-20 -100.24 92.59 5.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.569 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.713 ' HB1' ' O ' ' A' ' 68' ' ' THR . . . 171.75 151.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.565 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 67' ' ' ALA . 67.6 tt0 -96.29 133.59 40.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.595 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.462 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 61.4 t -108.54 144.64 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.59 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.405 ' CD2' ' NH1' ' A' ' 37' ' ' ARG . 2.1 tt -145.93 130.71 18.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.63 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.59 HD23 HG22 ' A' ' 65' ' ' VAL . 1.4 mp -115.15 154.26 29.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.5 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.405 ' NH1' ' CD2' ' A' ' 35' ' ' LEU . 11.3 ptp85 -157.84 145.72 18.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.566 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.463 HD21 HD23 ' A' ' 55' ' ' LEU . 74.6 m-20 -92.15 157.75 16.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.55 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' A' ' 40' ' ' GLU . 52.1 p-10 -60.25 -23.9 64.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.593 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.474 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 98.2 mt-10 -67.19 -20.15 65.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.585 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.16 7.08 29.15 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.8 m -84.03 112.42 20.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.743 0.306 . . . . 0.0 110.5 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -84.03 107.57 16.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.537 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.678 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -95.15 72.96 3.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.59 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.492 ' C ' ' H ' ' A' ' 47' ' ' ASN . 94.6 mt-10 -37.14 121.03 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.585 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 34' ' ' VAL . . . -60.35 -1.12 0.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.519 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.492 ' H ' ' C ' ' A' ' 45' ' ' GLU . 50.5 t30 -121.76 46.18 2.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.583 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.5 t -156.41 126.39 6.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.564 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 35.9 m -66.35 -36.85 78.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.625 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 83.8 mt -61.39 -34.94 63.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.537 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.678 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -66.72 -39.66 88.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.581 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.578 HD22 ' HB1' ' A' ' 20' ' ' ALA . 49.4 tp -59.48 -40.37 86.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.549 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.6 mt -64.29 -37.44 87.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.542 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 23.0 mmt -66.36 -37.9 86.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.543 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.488 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 96.1 mt -63.6 -23.84 67.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.491 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -55.31 -38.11 68.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.584 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 75.6 m -77.99 0.62 23.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.598 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.885 ' O ' HG21 ' A' ' 9' ' ' ILE . . . -88.08 31.03 0.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.564 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.5 pttm -75.22 95.77 3.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.539 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 104.96 6.1 40.34 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 59.7 mtp85 -104.22 161.04 14.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.75 0.31 . . . . 0.0 110.572 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -94.96 144.04 25.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.564 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.408 ' CD1' HD11 ' A' ' 9' ' ' ILE . 46.7 pt -132.08 165.19 32.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.524 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -125.24 102.56 7.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.568 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.59 HG22 HD23 ' A' ' 36' ' ' LEU . 6.3 t -83.2 132.15 32.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.549 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -127.76 139.85 52.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.578 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.404 ' HA ' ' O ' ' A' ' 33' ' ' GLU . . . -138.94 140.58 38.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.589 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.713 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 51.4 m -129.66 140.13 51.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.586 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 132.73 -178.95 17.72 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.828 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 48.2 Cg_endo -72.62 -25.89 17.02 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.836 2.357 . . . . 0.0 112.088 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -112.66 15.42 19.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.506 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.449 ' OE1' HG23 ' A' ' 3' ' ' VAL . 12.7 pt-20 -51.8 -42.65 62.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.606 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -58.3 -47.46 83.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.554 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -56.48 -51.32 68.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.53 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.456 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -50.75 -47.66 59.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.572 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.775 HD11 ' O ' ' A' ' 3' ' ' VAL . 92.0 mt -65.56 -41.11 93.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.591 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.84 -43.31 94.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.572 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.52 -43.29 97.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.566 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.612 ' CG2' HD21 ' A' ' 23' ' ' LEU . 65.7 t -68.78 -44.98 81.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.534 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 47.1 mt -64.96 -40.52 89.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.453 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.85 -34.9 78.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.537 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.7 mt -72.85 -37.64 67.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.5 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.536 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 7.3 m-30 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.52 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' ' 67' ' ' ALA . 24.8 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.721 0.296 . . . . 0.0 110.517 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.2 mttp -120.37 143.29 48.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.708 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.483 ' OE1' HD23 ' A' ' 76' ' ' LEU . 68.2 mt-30 -145.3 135.12 23.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.533 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.03 126.47 39.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.565 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.4 p -130.07 136.33 59.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.58 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -75.89 129.91 37.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.542 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.598 HG21 ' O ' ' A' ' 58' ' ' ALA . 4.2 mm . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.57 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo . . . . . 0 N--CA 1.491 1.325 0 CA-C-O 120.83 0.262 . . . . 0.0 112.096 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.461 ' HB1' HD22 ' A' ' 52' ' ' LEU . . . -61.19 -40.81 95.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.574 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 56.0 mtt -68.57 -42.53 78.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.562 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -59.21 -40.24 85.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.549 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.444 HD21 ' CG2' ' A' ' 79' ' ' VAL . 3.7 mt -47.58 -43.14 25.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.501 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.529 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 10.1 m-85 -57.51 -42.7 83.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.503 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -72.06 -35.6 69.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.441 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.29 -40.76 77.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.514 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.483 ' SD ' ' O ' ' A' ' 32' ' ' ALA . 13.0 mmm -53.91 -37.03 63.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.501 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -72.75 -39.07 67.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.522 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.55 -35.31 32.99 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.507 ' CD2' ' N ' ' A' ' 30' ' ' PHE . 9.0 m-30 -95.72 136.23 36.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.725 0.297 . . . . 0.0 110.574 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.857 ' O ' ' HD2' ' A' ' 70' ' ' PRO . 83.3 m-20 -88.87 94.33 9.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.636 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.649 ' HB1' ' O ' ' A' ' 68' ' ' THR . . . 170.75 152.57 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.6 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' ' 67' ' ' ALA . 40.3 tp10 -95.39 129.83 42.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.582 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.8 m -106.25 144.83 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.592 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.2 tt -147.07 133.6 19.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.551 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.623 HD23 HG22 ' A' ' 65' ' ' VAL . 9.6 mt -106.95 152.25 24.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.574 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 43.7 mtp85 -146.79 132.02 18.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.569 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.497 ' HA ' HG22 ' A' ' 63' ' ' ILE . 7.4 t-20 -86.16 157.55 19.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.516 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -50.22 -37.09 33.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.593 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -68.07 0.47 3.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.565 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.57 22.33 62.42 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.1 m -87.6 111.67 21.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.883 0.373 . . . . 0.0 110.55 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -71.88 104.89 3.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.609 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.636 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -94.41 68.79 3.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.468 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -44.95 120.48 2.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.539 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.529 ' O ' ' CZ ' ' A' ' 24' ' ' PHE . . . -62.47 -38.17 88.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.562 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.44 ' O ' ' CG ' ' A' ' 47' ' ' ASN . 14.4 t-20 -64.34 1.12 0.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.543 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.456 ' H ' ' C ' ' A' ' 46' ' ' ALA . 11.2 t -122.39 120.76 34.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.561 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.453 ' H ' HG22 ' A' ' 49' ' ' VAL . 3.9 m -65.06 -30.94 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.536 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 79.0 mt -61.6 -36.05 70.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.644 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.636 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -68.2 -40.81 82.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.517 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 52' ' ' LEU . 80.1 mt -58.26 -39.88 80.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.536 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 68.5 tp -66.65 -35.85 81.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.587 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 15.0 tpt -66.66 -35.64 80.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.561 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.474 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 96.1 mt -65.87 -24.0 66.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.515 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -50.8 -37.07 40.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.509 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.407 ' C ' ' H ' ' A' ' 59' ' ' LYS . 96.8 p -77.84 -7.72 57.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.548 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.598 ' O ' HG21 ' A' ' 9' ' ' ILE . . . -79.88 29.68 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.554 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.407 ' H ' ' C ' ' A' ' 57' ' ' SER . 30.2 ttpt -74.21 97.83 3.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.583 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 104.15 8.81 38.06 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 54.3 mtt85 -106.21 170.76 7.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.764 0.316 . . . . 0.0 110.58 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -105.2 139.46 39.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.557 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.497 HG22 ' HA ' ' A' ' 38' ' ' ASN . 31.0 pt -127.94 163.38 31.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.554 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -121.35 107.13 12.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.625 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.623 HG22 HD23 ' A' ' 36' ' ' LEU . 21.8 t -87.0 123.46 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.556 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -121.07 137.5 54.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.59 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.495 ' CB ' HD13 ' A' ' 76' ' ' LEU . . . -139.45 138.19 36.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.576 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.649 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 23.1 m -126.46 138.41 53.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.569 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.431 ' O ' ' OE2' ' A' ' 72' ' ' GLU . . . 136.66 -177.9 19.3 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.857 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 48.0 Cg_endo -72.36 -29.48 13.82 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.88 2.386 . . . . 0.0 112.097 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.477 ' OE1' ' N ' ' A' ' 31' ' ' ASP . 81.8 mt-30 -107.84 10.4 28.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.491 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.431 ' OE2' ' O ' ' A' ' 69' ' ' GLY . 13.1 pt-20 -47.44 -44.4 24.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.54 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.446 ' HG3' ' H ' ' A' ' 74' ' ' GLU . 3.1 pt-20 -58.79 -44.0 90.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.538 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.446 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 87.0 mt-10 -58.91 -47.66 84.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.573 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.629 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -54.56 -45.99 73.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.546 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.495 HD13 ' CB ' ' A' ' 67' ' ' ALA . 3.4 mp -65.16 -43.56 91.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.527 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.77 -44.08 97.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.516 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.85 -43.41 96.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.503 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 75' ' ' ALA . 59.3 t -69.32 -44.21 80.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.47 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 51.8 mt -62.53 -42.22 95.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.45 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.68 -34.99 78.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.471 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.4 ' HA ' HD22 ' A' ' 82' ' ' LEU . 2.0 mm? -73.11 -40.53 64.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.513 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.453 ' N ' ' HD1' ' A' ' 83' ' ' PHE . 3.0 m-85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.542 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.497 ' O ' ' CD1' ' A' ' 76' ' ' LEU . 99.3 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.754 0.311 . . . . 0.0 110.602 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.675 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 1.4 pttm -117.61 169.44 9.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.61 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.675 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 32.3 mt-30 -163.22 130.09 3.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.509 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.71 125.3 29.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.613 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 94.0 t -128.77 125.8 63.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.557 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -72.55 133.88 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.602 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.773 HG21 ' O ' ' A' ' 58' ' ' ALA . 4.0 mm . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.583 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo . . . . . 0 N--CA 1.491 1.357 0 CA-C-O 120.78 0.242 . . . . 0.0 112.123 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.574 ' HB1' HD21 ' A' ' 52' ' ' LEU . . . -61.75 -48.68 79.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.462 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 17.0 mmt -64.49 -40.56 95.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.536 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -65.96 -35.73 81.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.513 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.505 HD21 ' CG2' ' A' ' 79' ' ' VAL . 2.1 mt -49.79 -45.94 50.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.552 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.51 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 10.7 m-85 -54.35 -38.41 66.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.49 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -74.36 -34.9 63.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.569 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.515 HD22 ' CE1' ' A' ' 30' ' ' PHE . 69.3 mt -64.39 -44.0 92.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.506 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 74.3 mtp -56.51 -33.5 66.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.531 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -78.36 -43.09 28.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.553 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.31 -39.69 81.39 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.574 ' CD2' ' N ' ' A' ' 30' ' ' PHE . 5.0 m-30 -97.7 165.87 11.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.816 0.341 . . . . 0.0 110.602 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.548 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 89.0 m-20 -108.57 94.79 5.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.545 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.548 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 169.96 153.26 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.559 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 68' ' ' THR . 86.2 tt0 -97.57 130.99 44.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.643 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 83.7 t -107.75 137.8 37.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.48 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.522 HD21 ' HE ' ' A' ' 37' ' ' ARG . 1.4 tt -138.77 132.6 30.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.65 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.518 HD11 ' HB2' ' A' ' 46' ' ' ALA . 1.6 mp -106.99 154.05 21.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.561 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.522 ' HE ' HD21 ' A' ' 35' ' ' LEU . 99.7 mtt180 -143.18 135.11 26.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.62 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.465 HD21 ' HB2' ' A' ' 58' ' ' ALA . 7.2 t-20 -90.91 149.38 21.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.572 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.85 -30.82 10.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.502 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -70.72 -8.1 49.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.537 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.79 11.09 59.46 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.9 m -81.27 113.12 19.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.822 0.344 . . . . 0.0 110.516 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -73.35 102.76 3.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.574 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.679 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -91.3 62.88 4.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.587 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.507 ' C ' ' H ' ' A' ' 47' ' ' ASN . 37.6 mt-10 -40.24 120.21 1.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.604 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.518 ' HB2' HD11 ' A' ' 36' ' ' LEU . . . -58.98 -1.81 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.547 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.507 ' H ' ' C ' ' A' ' 45' ' ' GLU . 36.3 p30 -111.19 41.47 1.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.577 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.26 126.61 5.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.566 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.412 HG22 ' H ' ' A' ' 49' ' ' VAL . 3.4 m -65.76 -35.11 74.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.625 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.424 ' O ' ' SD ' ' A' ' 54' ' ' MET . 84.2 mt -64.08 -34.8 71.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.608 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.679 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -65.54 -45.32 83.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.539 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.574 HD21 ' HB1' ' A' ' 20' ' ' ALA . 4.4 mp -58.89 -36.52 74.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.555 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.3 mt -68.45 -35.92 78.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.571 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.424 ' SD ' ' O ' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -66.17 -37.75 86.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.517 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.477 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 96.8 mt -64.77 -23.36 67.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.555 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.401 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 65.3 t0 -54.36 -36.69 64.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.611 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.5 m -78.67 1.71 21.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.51 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.773 ' O ' HG21 ' A' ' 9' ' ' ILE . . . -89.32 30.19 1.01 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.662 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -72.33 96.68 1.9 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.6 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 103.33 8.33 41.27 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.426 ' O ' ' HB ' ' A' ' 9' ' ' ILE . 27.2 mmm-85 -104.94 177.09 4.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.817 0.342 . . . . 0.0 110.584 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 26.7 pt20 -110.89 146.28 36.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.553 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.403 HG21 HD13 ' A' ' 63' ' ' ILE . 23.4 pt -134.12 160.68 41.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.552 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -120.21 100.2 7.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.625 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 38.3 t -81.79 128.3 38.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.589 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -121.24 136.74 54.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.535 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' A' ' 33' ' ' GLU . . . -134.89 133.08 39.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.556 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 33' ' ' GLU . 32.2 m -128.64 130.12 46.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.556 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.451 ' N ' ' HB3' ' A' ' 72' ' ' GLU . . . 141.71 167.18 11.14 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -47.64 -43.35 28.42 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.828 2.352 . . . . 0.0 112.153 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -102.37 24.71 9.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.58 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.451 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 18.9 pt-20 -53.03 -40.77 64.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.549 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.401 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 87.0 mt-10 -65.64 -46.48 79.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.604 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -56.63 -49.41 75.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.541 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.559 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -54.99 -46.69 75.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.582 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.497 ' CD1' ' O ' ' A' ' 3' ' ' VAL . 1.7 mt -65.35 -43.27 91.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.571 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.08 -43.12 95.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.533 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.78 -43.57 98.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.579 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 75' ' ' ALA . 58.2 t -67.98 -44.09 85.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.501 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.488 ' CD1' ' NE2' ' A' ' 5' ' ' GLN . 55.5 mt -64.48 -42.01 93.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.529 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.6 -34.95 78.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.491 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.3 mt -74.06 -38.62 63.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.532 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.531 179.935 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 74.4 t . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.835 0.35 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 51.2 pttt -126.02 175.32 7.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.675 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.517 ' NE2' HD11 ' A' ' 80' ' ' ILE . 6.1 tt0 -169.13 135.27 1.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.437 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.03 130.27 35.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.611 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 74.4 t -134.36 129.01 52.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.574 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -70.51 128.03 34.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.556 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.4 ' HB ' ' O ' ' A' ' 61' ' ' ARG . 5.8 mm . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.639 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.469 ' HA ' HD13 ' A' ' 82' ' ' LEU . 53.5 Cg_exo . . . . . 0 N--CA 1.491 1.337 0 CA-C-O 120.802 0.251 . . . . 0.0 112.023 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.665 ' HB1' HD22 ' A' ' 52' ' ' LEU . . . -61.01 -47.07 88.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.476 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 57.2 mtt -63.78 -40.26 96.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.537 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -63.44 -37.38 87.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.592 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.563 HD22 HG21 ' A' ' 34' ' ' VAL . 1.8 mt -48.39 -42.68 32.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.533 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.459 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 19.9 m-85 -58.49 -41.9 86.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.466 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -69.65 -37.2 76.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.53 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.976 HD12 ' CE1' ' A' ' 30' ' ' PHE . 4.1 mm? -66.59 -39.58 88.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.503 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.466 ' SD ' ' O ' ' A' ' 32' ' ' ALA . 0.4 OUTLIER -51.46 -33.51 31.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.539 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -80.17 -41.29 25.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.566 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.72 -39.01 90.3 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.976 ' CE1' HD12 ' A' ' 26' ' ' LEU . 9.5 m-30 -100.88 154.92 18.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.767 0.318 . . . . 0.0 110.578 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.498 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 88.8 m-20 -101.26 92.48 4.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.546 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.498 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 172.99 155.16 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.589 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -99.76 133.9 43.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.571 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.563 HG21 HD22 ' A' ' 23' ' ' LEU . 26.9 m -111.67 145.09 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.578 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.7 tt -144.41 138.19 27.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.571 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.653 HD23 HG22 ' A' ' 65' ' ' VAL . 13.1 mt -109.15 146.89 33.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.579 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -145.99 134.2 21.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.568 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -86.33 153.61 21.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.541 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -53.3 -31.55 44.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.58 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -67.74 -5.16 14.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.524 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.13 20.66 48.65 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.2 m -88.51 112.62 23.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.802 0.334 . . . . 0.0 110.55 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.476 ' OE1' ' N ' ' A' ' 43' ' ' GLU . 58.4 mp0 -77.32 105.26 8.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.556 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.574 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -99.98 76.58 1.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.552 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -42.24 121.41 1.88 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.563 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.459 ' O ' ' CZ ' ' A' ' 24' ' ' PHE . . . -69.79 0.72 5.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.503 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.682 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 0.1 OUTLIER -106.9 14.44 26.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.583 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 55.0 m -135.07 129.78 34.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.554 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.434 ' H ' HG22 ' A' ' 49' ' ' VAL . 4.4 m -64.6 -31.89 55.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.611 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 90.0 mt -61.56 -38.08 79.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.536 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.574 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -67.74 -39.65 84.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.575 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.665 HD22 ' HB1' ' A' ' 20' ' ' ALA . 87.7 mt -59.08 -39.96 83.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.616 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 53' ' ' LEU . 6.0 mt -70.03 -34.11 72.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.526 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.3 ttm -66.21 -40.48 90.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.538 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.47 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 95.2 mt -64.51 -23.83 67.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.58 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -55.27 -38.53 68.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.605 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 61.4 m -72.69 -8.1 53.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.575 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -84.47 10.53 10.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.578 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.431 ' CG ' ' O ' ' A' ' 59' ' ' LYS . 12.0 ptmt -53.37 101.51 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.606 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 104.63 1.3 43.22 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.4 ' O ' ' HB ' ' A' ' 9' ' ' ILE . 74.7 mtt180 -101.6 173.26 6.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.813 0.34 . . . . 0.0 110.63 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -100.73 144.22 29.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.589 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 33.3 pt -133.67 161.76 40.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.657 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -122.39 104.75 9.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.592 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.653 HG22 HD23 ' A' ' 36' ' ' LEU . 39.7 t -84.28 126.85 40.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.568 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -120.37 138.89 53.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.559 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.81 131.45 31.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.531 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 47.6 m -126.26 131.29 51.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.574 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.431 ' N ' ' HB3' ' A' ' 72' ' ' GLU . . . 140.24 165.0 10.12 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -47.85 -41.17 32.28 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.809 2.34 . . . . 0.0 112.117 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -101.49 19.62 17.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.598 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.431 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 23.2 pt-20 -48.89 -39.87 27.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.54 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.411 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 91.4 mt-10 -64.71 -48.5 74.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.541 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.4 tp10 -54.11 -50.41 66.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.597 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.531 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -54.74 -47.52 73.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.523 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.444 HD21 HE21 ' A' ' 5' ' ' GLN . 6.7 tp -62.05 -43.85 97.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.557 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.27 -42.61 98.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.486 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.09 -44.09 97.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.518 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 75' ' ' ALA . 61.3 t -67.37 -43.94 87.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.466 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.517 HD11 ' NE2' ' A' ' 5' ' ' GLN . 54.0 mt -64.9 -39.37 85.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.489 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.28 -36.99 85.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.52 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.469 HD13 ' HA ' ' A' ' 19' ' ' PRO . 55.3 mt -69.82 -40.85 75.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.537 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.564 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 6.3 m-30 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.48 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.507 HG12 ' CD2' ' A' ' 76' ' ' LEU . 47.3 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.803 0.335 . . . . 0.0 110.475 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt -115.93 151.08 36.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.586 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.501 ' HB2' HD21 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -153.45 133.13 13.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.519 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.64 127.72 35.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.614 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 86.3 t -129.71 133.11 65.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.492 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -83.62 125.08 31.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.655 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.471 HD12 ' HB1' ' A' ' 58' ' ' ALA . 20.9 mt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.491 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo . . . . . 0 N--CA 1.492 1.419 0 CA-C-O 120.77 0.238 . . . . 0.0 112.061 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 1.009 ' HB1' HD21 ' A' ' 52' ' ' LEU . . . -61.3 -44.01 97.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.514 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 64.4 mtt -68.89 -43.01 76.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.525 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -60.31 -37.13 79.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.579 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.628 HD21 ' CG2' ' A' ' 79' ' ' VAL . 3.3 mt -50.55 -45.67 57.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.544 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.461 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 8.2 m-85 -54.85 -39.08 68.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.566 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -76.14 -35.97 58.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.539 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.562 ' O ' ' N ' ' A' ' 30' ' ' PHE . 89.5 mt -64.73 -43.05 94.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.547 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 87.5 mtp -59.61 -37.33 78.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.63 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 29.8 tp60 -57.33 -41.7 80.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.544 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -97.07 -19.3 26.68 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.562 ' N ' ' O ' ' A' ' 26' ' ' LEU . 7.3 m-85 -95.12 121.5 36.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.749 0.309 . . . . 0.0 110.591 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.697 ' H ' ' NE2' ' A' ' 71' ' ' GLN . 98.4 m-20 -79.09 94.79 5.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.572 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.662 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 163.03 155.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.569 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -102.97 128.14 49.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.548 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 70.3 t -106.98 138.18 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.484 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.7 tt -136.45 136.83 39.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.688 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.405 HD11 ' HB2' ' A' ' 46' ' ' ALA . 1.2 mp -108.72 145.17 35.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.563 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.618 HH11 ' CG ' ' A' ' 43' ' ' GLU . 19.4 ttm180 -142.42 134.16 26.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.572 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.429 ' HA ' HG22 ' A' ' 63' ' ' ILE . 97.5 m-20 -87.41 155.52 19.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.518 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 40' ' ' GLU . 46.5 p-10 -56.57 -26.41 55.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.603 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.444 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 99.3 mt-10 -69.35 -22.59 63.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.56 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.13 4.66 31.0 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 m -80.62 111.42 17.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.816 0.341 . . . . 0.0 110.626 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.618 ' CG ' HH11 ' A' ' 37' ' ' ARG . 99.7 mt-10 -70.98 100.48 1.99 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.62 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.767 ' HA ' ' HB1' ' A' ' 51' ' ' ALA . . . -84.31 47.33 1.32 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.561 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -39.52 119.91 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.664 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.486 ' C ' ' H ' ' A' ' 48' ' ' SER . . . -55.3 -33.4 63.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.623 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.538 ' O ' ' CG ' ' A' ' 47' ' ' ASN . 0.1 OUTLIER -74.53 33.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.594 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.486 ' H ' ' C ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -155.27 125.77 6.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.578 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.458 HG23 ' N ' ' A' ' 50' ' ' ILE . 32.8 m -68.07 -38.87 80.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.617 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.458 ' N ' HG23 ' A' ' 49' ' ' VAL . 82.3 mt -60.43 -33.32 53.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.561 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.767 ' HB1' ' HA ' ' A' ' 44' ' ' ALA . . . -65.65 -42.37 91.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.632 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 1.009 HD21 ' HB1' ' A' ' 20' ' ' ALA . 6.7 mt -59.7 -37.65 79.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.628 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.405 ' O ' ' HB2' ' A' ' 56' ' ' ASP . 65.4 tp -64.4 -36.21 83.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.58 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 21.3 mmt -67.66 -35.81 79.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.512 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.524 HD21 ' CB ' ' A' ' 44' ' ' ALA . 94.4 mt -60.88 -24.04 65.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.594 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 53' ' ' LEU . 96.1 m-20 -56.42 -35.78 68.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.582 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 89.6 p -84.95 2.44 42.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.544 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.471 ' HB1' HD12 ' A' ' 9' ' ' ILE . . . -87.48 24.32 1.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.619 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -75.03 99.21 3.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.542 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.39 0.04 40.43 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 88.2 mtt-85 -102.47 165.7 10.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.779 0.324 . . . . 0.0 110.545 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -100.17 141.86 32.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.516 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.429 HG22 ' HA ' ' A' ' 38' ' ' ASN . 43.5 pt -127.17 159.39 37.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.618 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -116.97 107.79 14.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.583 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.5 t -88.29 117.39 31.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.621 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -113.97 135.6 53.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.64 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.43 ' O ' ' HB2' ' A' ' 72' ' ' GLU . . . -134.5 129.12 34.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.588 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 65.9 m -123.12 130.28 52.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.572 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.52 ' O ' ' HB3' ' A' ' 72' ' ' GLU . . . 139.93 165.09 10.15 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -46.93 -45.72 20.19 Favored 'Trans proline' 0 C--N 1.303 -1.832 0 C-N-CA 122.874 2.383 . . . . 0.0 112.139 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.697 ' NE2' ' H ' ' A' ' 31' ' ' ASP . 77.4 mt-30 -90.77 5.13 49.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.638 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.52 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 21.3 pt-20 -39.79 -40.21 0.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.603 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.427 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 94.6 mt-10 -65.64 -49.1 69.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.597 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -63.86 -50.14 69.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.528 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.96 -47.69 74.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.559 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.507 ' CD2' HG12 ' A' ' 3' ' ' VAL . 58.4 tp -63.62 -42.59 98.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.554 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.14 -41.41 96.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.553 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.87 -46.3 88.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.639 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.628 ' CG2' HD21 ' A' ' 23' ' ' LEU . 96.2 t -65.11 -42.6 94.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.572 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 50.7 mt -66.73 -39.33 83.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.576 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.5 -36.74 83.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.619 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.6 mt -69.79 -41.1 75.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.535 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.58 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 6.8 m-30 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.6 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 78.9 t . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.747 0.308 . . . . 0.0 110.554 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.557 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 47.4 pttt -123.39 170.56 10.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.683 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.557 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 50.5 mt-30 -157.98 133.43 8.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.476 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.6 127.04 33.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.621 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 53.5 t -130.35 125.97 60.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.506 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -71.29 133.8 46.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.651 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.424 ' HB ' ' O ' ' A' ' 61' ' ' ARG . 12.8 mm . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.599 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo . . . . . 0 N--CA 1.491 1.362 0 CA-C-O 120.746 0.227 . . . . 0.0 112.098 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.776 ' HB1' HD21 ' A' ' 52' ' ' LEU . . . -51.97 -55.44 20.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.544 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 39.0 mmm -58.6 -47.12 85.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.509 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.496 ' NZ ' HD13 ' A' ' 26' ' ' LEU . 64.8 tttm -61.23 -37.81 84.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.6 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.574 HD21 ' CG2' ' A' ' 79' ' ' VAL . 3.6 mt -49.66 -50.04 44.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.578 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.552 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 5.8 m-85 -49.81 -42.82 47.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.593 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -78.21 -34.25 49.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.491 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.496 HD13 ' NZ ' ' A' ' 22' ' ' LYS . 4.6 tp -63.87 -45.57 88.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.546 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 43.5 mtm -61.31 -35.68 78.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.519 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -58.06 -41.66 83.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.546 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.71 -21.99 27.28 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.485 ' HB2' ' O ' ' A' ' 26' ' ' LEU . 3.2 m-85 -91.27 125.25 35.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.822 0.344 . . . . 0.0 110.563 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.696 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 93.5 m-20 -78.29 96.31 5.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.519 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.696 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 158.86 152.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.573 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 67' ' ' ALA . 87.0 tt0 -100.71 130.16 46.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.678 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 92.8 t -105.98 137.22 37.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.535 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.5 tt -136.73 134.6 37.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.605 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.411 ' HB2' ' HB3' ' A' ' 44' ' ' ALA . 1.0 OUTLIER -105.19 151.39 24.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.492 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.5 mtt180 -148.0 134.25 19.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.565 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.629 HD21 HD23 ' A' ' 55' ' ' LEU . 92.5 m-20 -92.78 157.46 16.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.553 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.406 ' O ' ' OD1' ' A' ' 39' ' ' ASP . 65.5 t0 -52.89 -31.41 39.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.586 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -67.18 -11.31 57.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.621 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.28 15.57 55.31 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 m -85.08 113.48 21.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.738 0.304 . . . . 0.0 110.579 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -72.06 100.86 2.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.534 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.636 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -86.73 58.35 5.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.594 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -41.29 119.93 1.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.58 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.552 ' O ' ' CZ ' ' A' ' 24' ' ' PHE . . . -59.64 -31.22 69.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.551 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 56.9 p30 -76.7 28.6 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.534 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.463 ' H ' ' C ' ' A' ' 46' ' ' ALA . 7.3 t -148.66 123.2 9.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.606 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.468 ' H ' HG22 ' A' ' 49' ' ' VAL . 3.7 m -65.8 -33.44 63.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.559 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 85.4 mt -60.71 -35.92 67.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.599 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.636 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -66.87 -45.46 78.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.529 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.776 HD21 ' HB1' ' A' ' 20' ' ' ALA . 2.5 mp -54.95 -36.53 65.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.583 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.9 mt -70.09 -35.99 74.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.583 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 21.4 mmt -68.34 -35.64 78.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.599 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.629 HD23 HD21 ' A' ' 38' ' ' ASN . 97.4 mt -62.39 -32.66 73.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.578 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -52.37 -30.37 28.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.553 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 84.9 p -82.35 -5.63 58.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.612 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.77 29.29 0.54 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.565 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -71.99 97.06 1.8 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.635 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.62 4.28 40.01 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.424 ' O ' ' HB ' ' A' ' 9' ' ' ILE . 92.4 mtt-85 -106.08 159.55 15.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.759 0.314 . . . . 0.0 110.609 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -93.31 143.95 25.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.583 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 33.7 pt -129.6 160.03 41.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.607 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -122.14 98.59 6.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.541 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 40.8 t -80.35 126.2 39.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.541 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -119.2 138.62 52.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.601 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.431 ' O ' ' HB2' ' A' ' 72' ' ' GLU . . . -137.02 131.53 32.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.597 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 60.2 m -124.96 129.93 51.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.547 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.484 ' O ' ' HB3' ' A' ' 72' ' ' GLU . . . 138.66 165.5 10.3 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -47.01 -43.13 25.17 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.815 2.344 . . . . 0.0 112.143 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.635 ' NE2' ' H ' ' A' ' 31' ' ' ASP . 77.9 mt-30 -95.0 12.92 26.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.557 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.484 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 22.2 pt-20 -46.76 -44.07 18.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.606 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.476 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 38.3 mt-10 -66.77 -45.29 78.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.594 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -61.13 -49.01 79.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.599 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.07 -46.5 68.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.564 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.464 HD11 ' HA ' ' A' ' 4' ' ' LYS . 1.5 mt -66.77 -41.86 87.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.526 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.27 -44.18 97.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.528 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.17 -44.36 97.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.5 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.574 ' CG2' HD21 ' A' ' 23' ' ' LEU . 83.9 t -68.88 -41.94 82.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.608 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 44.5 mt -64.9 -42.67 95.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.574 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.74 -34.5 75.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.604 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.9 mt -74.86 -37.63 62.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.573 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.613 179.941 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.546 ' O ' HD12 ' A' ' 76' ' ' LEU . 96.7 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.744 0.306 . . . . 0.0 110.558 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.58 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 48.5 pttt -119.73 166.65 12.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.619 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.58 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 22.7 mt-30 -159.48 131.88 6.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.505 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.79 128.18 33.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.669 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 97.3 t -130.79 131.21 64.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.495 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -78.61 135.24 37.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.685 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.0 mm . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.478 179.967 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo . . . . . 0 N--CA 1.491 1.325 0 CA-C-O 120.803 0.251 . . . . 0.0 112.108 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.464 ' HB1' HD22 ' A' ' 52' ' ' LEU . . . -61.7 -42.88 99.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.481 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 12.0 mmt -65.05 -43.96 90.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.503 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -62.28 -38.4 89.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.573 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.515 HD21 ' CG2' ' A' ' 79' ' ' VAL . 3.4 mt -47.43 -44.9 25.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.538 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -52.73 -38.48 60.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.572 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -75.15 -31.41 61.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.48 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.689 HD22 ' CE1' ' A' ' 30' ' ' PHE . 68.7 mt -65.07 -44.17 89.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.553 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.422 ' SD ' ' O ' ' A' ' 32' ' ' ALA . 36.0 mmm -52.3 -30.79 29.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.576 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -81.19 -42.46 20.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.544 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.23 -40.32 55.97 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.689 ' CE1' HD22 ' A' ' 26' ' ' LEU . 3.5 m-30 -100.48 150.78 22.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.793 0.33 . . . . 0.0 110.595 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.528 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 11.7 m-20 -99.95 95.15 6.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.621 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.528 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 171.36 150.32 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.517 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 68' ' ' THR . 86.1 tt0 -94.97 139.17 31.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.596 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.9 m -114.97 146.37 19.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.499 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 tt -143.1 137.67 29.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.667 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.67 HD23 HG22 ' A' ' 65' ' ' VAL . 20.4 mt -110.7 150.14 29.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.533 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -151.15 132.93 14.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.559 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.567 HD21 HD23 ' A' ' 55' ' ' LEU . 96.4 m-20 -87.13 156.93 19.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.555 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 40' ' ' GLU . 48.1 p-10 -53.41 -23.43 9.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.6 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.434 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 99.4 mt-10 -72.55 -6.13 41.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.578 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.53 20.01 59.18 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 m -89.38 116.43 27.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.338 . . . . 0.0 110.562 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -82.57 104.89 13.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.63 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 1.013 ' HB1' ' HB1' ' A' ' 51' ' ' ALA . . . -102.79 96.36 6.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.612 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 97.4 mt-10 -43.09 121.82 2.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.518 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.65 -3.26 20.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.537 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -110.74 22.59 15.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.592 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 39.5 t -137.69 134.18 35.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.57 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.95 -30.95 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.53 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 84.0 mt -61.47 -39.18 82.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.613 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 1.013 ' HB1' ' HB1' ' A' ' 44' ' ' ALA . . . -69.08 -40.06 78.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.636 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.464 HD22 ' HB1' ' A' ' 20' ' ' ALA . 92.1 mt -60.68 -40.08 90.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.525 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.0 mt -63.82 -38.91 92.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.629 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 97.7 mtp -70.04 -39.05 75.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.553 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.567 HD23 HD21 ' A' ' 38' ' ' ASN . 91.5 mt -64.13 -30.2 71.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.538 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -54.0 -35.86 62.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.562 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.412 ' C ' ' H ' ' A' ' 59' ' ' LYS . 75.6 m -73.61 -4.59 35.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.585 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -79.44 29.41 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.563 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.412 ' H ' ' C ' ' A' ' 57' ' ' SER . 13.4 pttp -70.06 98.3 1.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.543 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 104.21 6.94 41.5 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -110.71 157.15 20.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.756 0.313 . . . . 0.0 110.561 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -92.27 143.85 25.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.578 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 28.2 pt -130.8 162.49 38.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.542 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -122.55 105.39 10.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.613 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.67 HG22 HD23 ' A' ' 36' ' ' LEU . 48.9 t -85.74 130.2 36.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.592 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -123.27 139.49 53.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.614 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.35 138.09 37.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.492 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.45 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 32.5 m -133.74 130.74 38.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.483 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.491 ' N ' ' HB3' ' A' ' 72' ' ' GLU . . . 142.97 165.37 10.61 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -47.64 -42.23 29.85 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.792 2.328 . . . . 0.0 112.081 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -107.8 29.5 7.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.56 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.491 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 17.0 pt-20 -58.14 -37.89 75.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.586 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -63.33 -47.92 80.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.558 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -55.64 -48.22 75.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.583 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.6 -48.39 72.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.582 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.546 HD12 ' O ' ' A' ' 3' ' ' VAL . 0.9 OUTLIER -65.88 -41.68 91.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.557 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.68 -43.76 93.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.559 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.25 -43.87 98.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.558 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.515 ' CG2' HD21 ' A' ' 23' ' ' LEU . 92.1 t -67.82 -44.16 85.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.511 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.416 ' CD1' ' NE2' ' A' ' 5' ' ' GLN . 49.6 mt -64.4 -40.51 89.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.534 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.79 -36.87 84.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.543 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 50.3 mt -71.54 -40.26 70.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.559 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.541 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 6.9 m-30 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.546 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.656 HG23 ' OE1' ' A' ' 72' ' ' GLU . 96.0 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.817 0.341 . . . . 0.0 110.561 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.541 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 46.7 pttt -121.84 165.73 15.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.604 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.541 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 63.9 mt-30 -157.08 130.33 7.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.547 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.48 128.95 34.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.625 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 58.9 t -131.82 127.43 58.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.598 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -75.26 134.61 41.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.558 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.436 ' HB ' ' O ' ' A' ' 61' ' ' ARG . 14.1 mm . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.598 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo . . . . . 0 N--CA 1.491 1.364 0 CA-C-O 120.796 0.248 . . . . 0.0 112.067 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.55 ' HB1' HD22 ' A' ' 52' ' ' LEU . . . -57.09 -52.09 66.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.442 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 63.4 mtt -61.81 -43.11 99.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.489 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -64.31 -37.43 87.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.458 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.583 HD21 ' CG2' ' A' ' 79' ' ' VAL . 2.1 mt -53.77 -43.91 69.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.475 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -55.59 -40.72 72.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.467 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -71.63 -35.44 70.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.519 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.412 HD22 ' CE1' ' A' ' 30' ' ' PHE . 77.0 mt -67.12 -42.13 85.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.499 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 31.2 mtp -56.66 -36.66 69.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.503 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -72.22 -34.91 68.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.515 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.92 -35.97 26.43 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.497 ' CD2' ' N ' ' A' ' 30' ' ' PHE . 6.2 m-30 -97.57 153.18 18.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.768 0.318 . . . . 0.0 110.576 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.573 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 97.0 m-20 -100.33 94.36 6.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.552 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.573 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 168.91 151.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.558 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -96.41 133.05 41.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.614 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.596 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 70.5 t -104.13 143.08 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.58 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tt -137.78 133.19 33.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.572 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.448 ' CD2' HG22 ' A' ' 65' ' ' VAL . 4.6 mt -118.94 148.77 42.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.594 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.503 ' HE ' ' HB2' ' A' ' 64' ' ' GLU . 21.7 ptt180 -157.95 142.24 16.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.574 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.448 HD21 HD23 ' A' ' 55' ' ' LEU . 81.0 m-20 -88.82 161.28 16.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.569 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -60.51 -28.58 68.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.524 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.729 ' OE2' ' NH2' ' A' ' 61' ' ' ARG . 94.9 mt-10 -62.19 -18.04 59.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.61 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.44 7.77 39.26 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.8 m -82.06 111.68 18.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 0.0 110.549 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -81.59 106.24 13.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.571 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.644 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -97.25 83.49 3.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.502 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.471 ' C ' ' H ' ' A' ' 47' ' ' ASN . 96.3 mt-10 -39.27 121.27 1.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.559 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' A' ' 34' ' ' VAL . . . -68.63 8.57 0.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.556 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.569 ' N ' ' OD1' ' A' ' 47' ' ' ASN . 0.2 OUTLIER -128.1 33.78 4.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.55 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.3 t -149.8 129.19 12.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.624 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.5 m -65.92 -32.26 57.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.569 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 87.4 mt -60.63 -38.6 78.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.585 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.644 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -67.89 -38.42 82.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.552 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.55 HD22 ' HB1' ' A' ' 20' ' ' ALA . 53.3 tp -58.58 -40.83 84.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.619 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.7 tp -60.04 -38.26 82.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.553 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 89.3 mtp -69.93 -35.84 74.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.636 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.485 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 97.7 mt -64.75 -27.07 68.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.604 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -53.8 -36.74 62.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.558 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 96.6 p -77.55 1.67 18.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.538 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -82.75 23.56 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.56 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -71.57 97.01 1.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.519 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 103.71 5.65 44.66 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.729 ' NH2' ' OE2' ' A' ' 40' ' ' GLU . 7.3 mtp180 -108.38 160.13 16.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.793 0.33 . . . . 0.0 110.564 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -94.21 145.39 24.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.537 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 25.3 pt -133.2 163.12 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.557 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.503 ' HB2' ' HE ' ' A' ' 37' ' ' ARG . 10.5 mt-10 -121.49 106.93 11.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.539 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.448 HG22 ' CD2' ' A' ' 36' ' ' LEU . 4.7 t -86.34 125.2 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.523 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 72.9 tt0 -126.56 143.13 51.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.575 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.586 ' HB2' HD13 ' A' ' 76' ' ' LEU . . . -143.7 145.85 32.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.554 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.495 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 29.8 m -135.29 131.34 36.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.557 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.472 ' N ' ' HB3' ' A' ' 72' ' ' GLU . . . 141.08 165.73 10.44 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -47.71 -43.19 29.19 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.812 2.341 . . . . 0.0 112.189 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -106.03 29.02 7.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.522 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.656 ' OE1' HG23 ' A' ' 3' ' ' VAL . 12.4 pt-20 -57.96 -37.89 75.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.505 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.458 ' HG3' ' H ' ' A' ' 74' ' ' GLU . 2.9 pt-20 -64.76 -46.22 83.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.54 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.458 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 74.2 tt0 -53.39 -51.98 60.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.681 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.49 -47.56 57.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.577 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.586 HD13 ' HB2' ' A' ' 67' ' ' ALA . 2.0 mp -65.87 -41.17 91.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.548 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.66 -43.36 93.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.593 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.19 -43.74 97.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.481 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.583 ' CG2' HD21 ' A' ' 23' ' ' LEU . 86.5 t -70.15 -46.55 71.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.494 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 42.5 mt -63.44 -39.45 85.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.473 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.5 -32.59 73.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.509 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.55 -47.54 75.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.526 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.622 ' CD2' ' N ' ' A' ' 83' ' ' PHE . 2.5 m-30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.497 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 86.8 t . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.725 0.298 . . . . 0.0 110.578 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 46.4 pttt -124.88 172.38 9.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.573 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.57 ' HB2' HD21 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -164.86 130.14 2.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.58 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.33 130.0 35.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.623 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.9 p -138.6 133.28 42.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.559 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.0 mp0 -74.61 134.55 42.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.577 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.416 HD13 ' HA ' ' A' ' 9' ' ' ILE . 6.7 mm . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.506 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo . . . . . 0 N--CA 1.491 1.351 0 CA-C-O 120.838 0.266 . . . . 0.0 112.145 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.412 ' HB1' HD22 ' A' ' 52' ' ' LEU . . . -65.01 -42.73 94.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.521 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 46.8 mtt -67.48 -45.95 74.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.582 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.9 tttt -60.74 -38.98 86.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.486 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.593 HD21 ' CG2' ' A' ' 79' ' ' VAL . 2.9 mt -48.75 -43.11 37.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.574 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -57.23 -40.18 77.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.589 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -70.39 -34.89 73.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.53 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.617 ' O ' ' N ' ' A' ' 30' ' ' PHE . 5.2 mp -66.98 -41.16 87.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.597 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.523 ' HG2' ' N ' ' A' ' 28' ' ' GLN . 1.9 ptt? -56.58 -34.7 67.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.526 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.523 ' N ' ' HG2' ' A' ' 27' ' ' MET . 58.2 tt0 -67.75 -41.67 82.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.647 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.15 -20.71 37.91 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.617 ' N ' ' O ' ' A' ' 26' ' ' LEU . 16.3 m-85 -99.38 126.07 45.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.751 0.31 . . . . 0.0 110.601 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.701 ' H ' ' NE2' ' A' ' 71' ' ' GLN . 84.5 m-20 -84.57 96.49 9.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.566 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.684 ' HB1' ' O ' ' A' ' 68' ' ' THR . . . 163.08 150.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.557 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -95.31 134.72 37.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.676 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 m -107.18 144.27 16.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.497 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.403 HD21 ' CD ' ' A' ' 37' ' ' ARG . 1.5 tt -145.13 130.64 18.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.621 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.695 HD23 HG22 ' A' ' 65' ' ' VAL . 6.6 mt -107.1 153.18 23.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.533 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 54.7 mtp180 -149.07 134.26 18.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.548 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.66 HD21 HD23 ' A' ' 55' ' ' LEU . 94.2 m-20 -93.6 157.6 16.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.572 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 65.8 t0 -51.57 -31.83 26.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.593 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.9 mp0 -68.16 -5.07 16.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.522 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.71 20.66 63.24 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.5 m -87.22 113.69 23.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.763 0.316 . . . . 0.0 110.559 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -73.81 105.38 5.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.557 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.628 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -99.21 76.65 2.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.526 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -41.8 121.64 1.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.553 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.63 -3.18 10.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.487 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -108.48 19.68 19.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.541 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.0 m -136.92 130.12 31.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.594 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.415 HG22 ' H ' ' A' ' 49' ' ' VAL . 3.0 m -67.22 -33.16 61.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.486 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 86.6 mt -60.77 -38.17 78.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.602 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.628 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -67.52 -41.2 84.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.549 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 52' ' ' LEU . 42.6 tp -55.83 -39.45 71.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.596 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.3 mt -64.08 -39.49 94.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.589 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 21.8 mmt -66.68 -36.63 82.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.518 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.66 HD23 HD21 ' A' ' 38' ' ' ASN . 97.4 mt -63.37 -35.86 81.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.523 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -50.84 -34.66 28.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.48 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 87.5 p -73.75 -9.2 58.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.488 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -84.18 30.48 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.557 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -71.02 99.77 1.87 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.548 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 102.21 1.51 51.13 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 83.2 mtt-85 -100.6 168.8 9.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.832 0.348 . . . . 0.0 110.568 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -99.26 143.0 30.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.594 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 30.3 pt -131.86 163.3 37.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.542 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -123.32 102.22 7.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.598 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.695 HG22 HD23 ' A' ' 36' ' ' LEU . 21.6 t -82.52 130.94 34.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.574 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -128.13 141.16 51.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.565 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.64 142.02 35.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.638 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.684 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 31.1 m -129.41 141.57 51.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.578 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 129.94 -179.15 17.02 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.531 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 51.6 Cg_endo -73.01 -25.27 16.43 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.834 2.356 . . . . 0.0 112.176 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.701 ' NE2' ' H ' ' A' ' 31' ' ' ASP . 74.5 mt-30 -105.64 3.88 29.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.574 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.514 ' CG ' ' N ' ' A' ' 73' ' ' GLU . 14.2 pt-20 -46.41 -46.82 18.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.642 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.514 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 93.6 mt-10 -59.19 -47.57 84.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.596 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -64.94 -48.26 74.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.545 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.3 -46.31 83.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.605 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.57 HD21 ' HB2' ' A' ' 5' ' ' GLN . 58.3 tp -62.11 -42.41 99.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.611 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.64 -40.66 88.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.528 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.71 -45.49 89.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.558 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.593 ' CG2' HD21 ' A' ' 23' ' ' LEU . 99.4 t -66.82 -43.75 89.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.547 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 53.6 mt -65.52 -39.5 85.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.586 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.83 -34.96 78.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.586 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.9 mt -70.31 -40.83 74.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.649 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.605 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 5.4 m-30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.546 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.4 t . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.753 0.311 . . . . 0.0 110.58 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 48.5 pttt -124.24 175.39 7.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.602 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.551 ' HB2' HD21 ' A' ' 76' ' ' LEU . 2.1 tp60 -165.81 131.53 2.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.508 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.76 125.52 30.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.636 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 95.5 t -129.61 129.64 66.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.547 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.7 mp0 -72.45 138.19 46.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.584 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.517 HG21 ' O ' ' A' ' 58' ' ' ALA . 15.3 mm . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.602 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo . . . . . 0 N--CA 1.491 1.367 0 CA-C-O 120.837 0.265 . . . . 0.0 112.094 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.42 -43.51 96.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.535 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 52.0 mtt -66.34 -44.61 82.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.625 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -61.33 -38.16 85.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.512 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.562 HD21 ' CG2' ' A' ' 79' ' ' VAL . 2.4 mt -47.0 -46.07 21.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.551 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.426 ' CE1' ' O ' ' A' ' 46' ' ' ALA . 9.2 m-85 -56.01 -37.35 69.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.487 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -75.41 -35.56 60.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.552 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.457 HD22 ' CE1' ' A' ' 30' ' ' PHE . 93.9 mt -62.75 -43.98 97.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.506 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 78.5 mtp -57.51 -33.94 68.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.492 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -77.07 -43.94 32.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.557 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.12 -40.52 82.78 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.533 ' CD2' ' N ' ' A' ' 30' ' ' PHE . 4.0 m-30 -96.45 163.5 13.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.758 0.313 . . . . 0.0 110.548 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.516 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 84.8 m-20 -104.94 92.32 4.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.538 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.516 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 172.22 155.51 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.604 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 68' ' ' THR . 85.2 tt0 -100.43 133.33 45.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.546 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 97.6 t -109.76 138.58 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.507 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 tt -136.81 134.29 36.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.659 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.573 ' CD2' HG13 ' A' ' 65' ' ' VAL . 32.4 mt -109.1 150.37 27.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.593 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -151.62 137.44 18.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.637 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.775 HD21 HD23 ' A' ' 55' ' ' LEU . 75.7 m-20 -91.27 154.77 19.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.543 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 56.1 t0 -55.47 -26.75 44.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.627 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.464 ' HG3' HH11 ' A' ' 61' ' ' ARG . 95.6 mt-10 -66.46 -18.53 65.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.549 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.29 8.51 38.24 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 77.9 m -83.67 114.14 21.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.79 0.329 . . . . 0.0 110.512 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -82.87 105.38 13.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.593 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.686 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -95.51 70.55 3.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.506 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.638 ' HB3' HD22 ' A' ' 47' ' ' ASN . 91.7 mt-10 -38.27 120.95 0.94 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.528 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.426 ' O ' ' CE1' ' A' ' 24' ' ' PHE . . . -62.4 0.12 0.5 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.569 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.638 HD22 ' HB3' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -110.23 25.54 11.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.575 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.35 123.86 14.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.47 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.431 ' H ' HG22 ' A' ' 49' ' ' VAL . 2.0 m -64.81 -36.67 78.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.591 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 81.4 mt -62.49 -35.92 72.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.529 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.686 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -65.37 -42.99 92.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.578 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 49.5 tp -60.51 -40.19 90.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.582 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.6 HD23 ' OD2' ' A' ' 56' ' ' ASP . 1.0 OUTLIER -63.66 -30.66 71.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.576 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 47.0 tpp -72.81 -36.02 67.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.544 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.775 HD23 HD21 ' A' ' 38' ' ' ASN . 96.0 mt -64.89 -18.46 65.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.585 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.6 ' OD2' HD23 ' A' ' 53' ' ' LEU . 98.2 m-20 -54.63 -37.73 66.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.621 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 71.8 m -78.95 0.38 27.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.594 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.517 ' O ' HG21 ' A' ' 9' ' ' ILE . . . -85.0 30.04 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.628 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.9 pttp -75.35 96.92 3.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.539 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 106.23 7.27 35.44 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.464 HH11 ' HG3' ' A' ' 40' ' ' GLU . 62.7 mtp85 -107.93 159.71 16.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 110.515 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -93.85 143.34 26.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.601 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 42.7 pt -129.8 163.39 35.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.56 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -122.15 100.55 7.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.556 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.573 HG13 ' CD2' ' A' ' 36' ' ' LEU . 21.8 t -83.17 128.04 39.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.535 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -123.64 139.52 53.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.585 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -135.88 133.02 37.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.572 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.472 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 25.9 m -127.42 132.2 50.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.593 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.424 ' N ' ' HB3' ' A' ' 72' ' ' GLU . . . 140.31 166.05 10.52 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -47.38 -42.51 27.96 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.781 2.321 . . . . 0.0 112.154 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -101.93 22.31 13.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.568 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.426 ' CG ' ' N ' ' A' ' 73' ' ' GLU . 22.4 pt-20 -49.79 -41.34 44.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.518 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.426 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 93.1 mt-10 -64.08 -46.4 84.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.621 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -56.83 -49.39 75.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.569 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.569 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -56.56 -46.51 80.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.542 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.551 HD21 ' HB2' ' A' ' 5' ' ' GLN . 43.7 tp -64.59 -44.11 91.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.494 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.7 -42.66 97.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.505 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.16 -43.66 98.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.57 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 75' ' ' ALA . 57.9 t -67.05 -43.74 88.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.584 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 43.0 mt -64.37 -40.61 89.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.555 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.21 -34.59 76.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.536 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -72.5 -41.0 66.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.486 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.586 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 5.8 m-30 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.591 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.776 ' O ' HD11 ' A' ' 76' ' ' LEU . 83.7 t . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.729 0.3 . . . . 0.0 110.516 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.527 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 11.3 pttm -119.29 164.9 14.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.632 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.527 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 55.6 mt-30 -156.56 129.16 7.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.533 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.77 126.15 30.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.512 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 92.3 t -130.28 131.62 65.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.588 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -77.09 133.02 39.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.441 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.704 HG21 ' O ' ' A' ' 58' ' ' ALA . 4.3 mm . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.624 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_exo . . . . . 0 N--CA 1.49 1.302 0 CA-C-O 120.8 0.25 . . . . 0.0 112.078 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.47 ' HB1' ' CD2' ' A' ' 52' ' ' LEU . . . -59.48 -47.46 85.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.527 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 65.2 mtt -65.23 -41.44 94.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.483 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.4 mttm -62.95 -37.34 86.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.499 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.495 HD21 ' CG2' ' A' ' 79' ' ' VAL . 1.6 mt -48.71 -45.79 39.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.433 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.434 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 16.6 m-85 -55.85 -42.42 75.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.44 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -70.91 -38.11 72.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.419 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' A' ' 30' ' ' PHE . 93.5 mt -63.35 -42.91 98.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.407 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 77.1 mtp -56.92 -36.66 70.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.517 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -63.7 -42.08 98.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.476 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -89.09 -20.54 45.67 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.553 ' N ' ' O ' ' A' ' 26' ' ' LEU . 9.5 m-85 -99.57 125.93 45.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.773 0.32 . . . . 0.0 110.576 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.655 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 83.7 m-20 -81.17 95.51 6.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.488 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.655 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 163.48 153.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.59 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.401 ' O ' ' HA ' ' A' ' 67' ' ' ALA . 86.9 tt0 -99.09 125.86 44.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.549 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 73.1 t -103.84 137.2 33.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.519 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.0 tt -137.66 136.71 37.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.582 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.646 HD23 HG22 ' A' ' 65' ' ' VAL . 8.2 mt -107.7 148.41 29.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.604 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.0 ttp85 -147.52 134.84 20.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.527 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.719 HD21 HD23 ' A' ' 55' ' ' LEU . 98.3 m-20 -89.66 156.9 18.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.602 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -54.37 -26.68 31.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.522 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -67.52 -9.93 46.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.616 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.65 14.24 58.52 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.8 m -86.29 117.52 25.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.786 0.327 . . . . 0.0 110.563 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -79.88 105.92 11.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.541 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.552 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -97.09 75.79 2.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.587 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -40.31 120.95 1.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.55 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.434 ' O ' ' CZ ' ' A' ' 24' ' ' PHE . . . -65.91 -14.42 61.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.562 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.504 ' O ' ' OD1' ' A' ' 47' ' ' ASN . 28.0 t-20 -99.17 30.34 3.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.557 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.0 t -146.1 126.1 13.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.555 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.4 ' H ' HG22 ' A' ' 49' ' ' VAL . 4.8 m -66.4 -31.91 55.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.542 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 86.0 mt -60.97 -39.48 82.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.519 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.552 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -68.09 -42.24 80.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.579 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.47 ' CD2' ' HB1' ' A' ' 20' ' ' ALA . 4.6 mp -56.58 -39.62 73.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.594 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.429 HD23 ' OD2' ' A' ' 56' ' ' ASP . 1.8 mt -68.18 -31.84 71.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.569 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 14.6 tpt -72.26 -34.8 68.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.53 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.719 HD23 HD21 ' A' ' 38' ' ' ASN . 97.5 mt -65.78 -23.21 66.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.591 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.429 ' OD2' HD23 ' A' ' 53' ' ' LEU . 99.0 m-20 -52.99 -35.75 59.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.539 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 92.8 p -74.94 -9.62 58.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.516 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.704 ' O ' HG21 ' A' ' 9' ' ' ILE . . . -80.68 30.92 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.533 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.403 ' HG2' ' H ' ' A' ' 59' ' ' LYS . 2.9 ptmm? -73.78 97.49 2.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.559 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 103.29 4.87 46.89 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.45 ' O ' ' HB ' ' A' ' 9' ' ' ILE . 83.4 mtt-85 -102.11 167.12 10.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.758 0.313 . . . . 0.0 110.525 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -99.05 143.52 29.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.511 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.408 HG22 ' OD1' ' A' ' 38' ' ' ASN . 17.8 pt -132.77 160.52 42.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.637 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -121.41 100.69 7.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.549 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.646 HG22 HD23 ' A' ' 36' ' ' LEU . 17.2 t -78.7 128.97 38.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.498 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 73.4 tt0 -123.5 136.72 54.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.643 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.401 ' HA ' ' O ' ' A' ' 33' ' ' GLU . . . -136.56 137.2 39.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.498 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.562 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 89.5 m -124.98 138.27 54.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.612 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 132.4 -177.92 18.41 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.48 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 44.6 Cg_endo -71.77 -26.82 18.77 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.806 2.337 . . . . 0.0 112.14 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.572 ' OE1' ' N ' ' A' ' 31' ' ' ASP . 51.0 mt-30 -104.76 9.43 34.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.503 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.496 ' CG ' ' N ' ' A' ' 73' ' ' GLU . 20.7 pt-20 -48.82 -48.97 41.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.569 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.496 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 2.8 pt-20 -62.0 -39.59 92.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.479 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -67.67 -49.53 62.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.564 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.521 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -53.78 -44.44 70.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.582 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.776 HD11 ' O ' ' A' ' 3' ' ' VAL . 76.9 mt -63.05 -41.54 99.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.494 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.79 -44.25 90.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.49 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.23 -42.95 96.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.45 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 75' ' ' ALA . 61.9 t -68.49 -45.98 81.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.472 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 57.6 mt -63.02 -41.57 93.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.469 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.31 -35.95 82.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.428 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 19.5 mt -72.63 -38.36 67.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.426 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.519 179.903 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.1 t . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.753 0.311 . . . . 0.0 110.509 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.1 166.28 16.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.639 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.406 ' OE1' ' CD1' ' A' ' 80' ' ' ILE . 53.7 tt0 -169.77 135.44 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.551 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.8 135.05 36.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.566 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 86.7 t -135.03 127.38 48.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.675 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -71.2 131.57 43.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.49 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.801 HG21 ' O ' ' A' ' 58' ' ' ALA . 4.9 mm . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.71 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo . . . . . 0 N--CA 1.491 1.341 0 CA-C-O 120.783 0.243 . . . . 0.0 112.064 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.461 ' HB1' HD22 ' A' ' 52' ' ' LEU . . . -60.6 -51.13 70.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.494 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 20.1 mmt -62.16 -40.87 97.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.41 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -66.42 -37.26 84.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.503 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.491 HD21 ' CG2' ' A' ' 79' ' ' VAL . 2.1 mt -49.1 -45.63 43.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.459 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.511 ' CE1' ' O ' ' A' ' 46' ' ' ALA . 8.8 m-85 -57.58 -42.61 83.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.38 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -71.54 -38.5 71.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.376 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.508 ' O ' ' N ' ' A' ' 30' ' ' PHE . 78.5 mt -64.4 -40.9 96.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.461 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 14.7 mtm -56.45 -36.97 69.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.531 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -61.02 -41.76 97.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.511 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.98 -18.8 45.54 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.508 ' N ' ' O ' ' A' ' 26' ' ' LEU . 9.5 m-85 -99.69 119.99 38.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.795 0.331 . . . . 0.0 110.514 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.679 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 66.7 t0 -78.47 98.94 6.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.578 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.679 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 161.63 152.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.561 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 68' ' ' THR . 86.6 tt0 -98.23 132.8 43.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.574 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.415 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 52.2 t -105.7 139.49 26.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.557 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.455 HD21 ' CD ' ' A' ' 37' ' ' ARG . 1.3 tt -137.74 126.68 24.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.504 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.55 HD11 HG13 ' A' ' 65' ' ' VAL . 8.0 mp -106.91 153.53 22.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.665 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.455 ' CD ' HD21 ' A' ' 35' ' ' LEU . 83.7 mtm180 -147.34 132.13 17.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.501 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -86.42 156.24 20.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.601 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -53.59 -36.75 62.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.543 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -65.22 -6.29 9.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.513 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.85 18.44 56.26 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 21.2 m -83.33 110.52 18.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.341 . . . . 0.0 110.562 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -70.68 105.2 3.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.547 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.628 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -100.91 72.16 1.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.576 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 55.1 mp0 -39.35 120.43 1.04 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.587 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.511 ' O ' ' CE1' ' A' ' 24' ' ' PHE . . . -58.05 -15.54 9.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.52 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.457 ' O ' ' OD1' ' A' ' 47' ' ' ASN . 29.0 t-20 -104.84 46.22 0.93 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.58 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.2 t -157.04 121.08 4.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.586 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.1 m -64.8 -33.81 65.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.556 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 86.4 mt -62.4 -37.1 77.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.451 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.628 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -66.48 -42.57 87.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.585 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.461 HD22 ' HB1' ' A' ' 20' ' ' ALA . 45.9 tp -57.93 -39.71 78.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.569 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.78 -35.61 81.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.588 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -37.96 80.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.552 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.486 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 96.0 mt -64.33 -21.91 66.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.602 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -50.72 -37.38 41.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.533 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.425 ' C ' ' H ' ' A' ' 59' ' ' LYS . 88.7 p -76.45 -6.53 52.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.584 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.801 ' O ' HG21 ' A' ' 9' ' ' ILE . . . -78.29 30.73 0.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.596 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.425 ' H ' ' C ' ' A' ' 57' ' ' SER . 65.8 tttm -74.36 96.05 2.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.54 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 102.51 4.62 49.48 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.426 ' O ' ' HB ' ' A' ' 9' ' ' ILE . 84.2 mtt-85 -100.37 169.2 9.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.811 0.339 . . . . 0.0 110.574 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -101.2 143.48 31.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.509 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 15.7 pt -132.75 158.65 43.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.638 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -117.52 103.99 10.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.541 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.55 HG13 HD11 ' A' ' 36' ' ' LEU . 17.2 t -85.86 126.73 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.553 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -124.42 140.09 53.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.599 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.43 ' O ' ' HB2' ' A' ' 72' ' ' GLU . . . -136.83 134.04 36.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.586 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 33' ' ' GLU . 37.3 m -127.03 130.06 49.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.597 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.475 ' N ' ' HB3' ' A' ' 72' ' ' GLU . . . 138.92 168.34 11.22 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -48.1 -41.35 33.87 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.864 2.376 . . . . 0.0 112.129 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -100.73 21.23 13.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.582 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.475 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 23.6 pt-20 -53.06 -45.88 68.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.491 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.446 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 22.9 pt-20 -68.32 -36.78 79.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.613 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -64.75 -51.72 60.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.577 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.572 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -54.95 -43.99 73.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.54 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.3 tp -62.18 -44.99 95.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.534 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.83 -43.23 94.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.538 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.8 -44.43 96.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.524 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 75' ' ' ALA . 58.7 t -66.81 -44.79 88.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.467 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.406 ' CD1' ' OE1' ' A' ' 5' ' ' GLN . 56.5 mt -63.13 -41.8 94.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.491 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.83 -35.65 80.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.445 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.5 mt -73.0 -41.14 64.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.407 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.484 179.936 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.664 HG22 ' O ' ' A' ' 67' ' ' ALA . 3.2 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.797 0.332 . . . . 0.0 110.559 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -119.44 143.86 47.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.627 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.417 ' NE2' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -146.06 132.68 19.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.54 179.917 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.417 ' O ' ' NE2' ' A' ' 5' ' ' GLN . 0.1 OUTLIER -86.16 127.96 34.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.652 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 85.3 t -128.81 130.36 68.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.508 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.427 ' OE1' ' N ' ' A' ' 8' ' ' GLU . 41.6 mp0 -79.72 127.95 32.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.613 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.716 HG21 ' O ' ' A' ' 58' ' ' ALA . 5.3 mm . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.545 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo . . . . . 0 N--CA 1.491 1.348 0 CA-C-O 120.804 0.252 . . . . 0.0 112.059 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.445 ' HB1' HD21 ' A' ' 52' ' ' LEU . . . -61.92 -39.92 93.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.473 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 13.1 mmt -68.58 -44.67 73.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.515 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.456 ' HE2' HD21 ' A' ' 26' ' ' LEU . 85.3 tttt -62.74 -37.16 85.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.579 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.457 HD22 HG21 ' A' ' 34' ' ' VAL . 2.3 mt -44.6 -45.96 9.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.562 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.615 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 6.3 m-85 -53.04 -36.91 61.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.501 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -79.22 -33.32 43.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.446 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.587 HD22 ' CE1' ' A' ' 30' ' ' PHE . 72.6 mt -60.29 -49.87 75.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.506 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.557 ' HG3' ' N ' ' A' ' 28' ' ' GLN . 1.8 ppp? -53.15 -28.47 26.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.541 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.557 ' N ' ' HG3' ' A' ' 27' ' ' MET . 8.5 tp-100 -82.62 -43.61 16.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.508 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.72 -34.68 62.59 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.587 ' CE1' HD22 ' A' ' 26' ' ' LEU . 6.4 m-85 -103.57 146.81 27.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.771 0.32 . . . . 0.0 110.629 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.572 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 74.1 m-20 -91.0 94.96 9.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.499 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.572 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 168.89 157.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.615 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -101.79 130.38 48.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.588 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.457 HG21 HD22 ' A' ' 23' ' ' LEU . 22.8 m -108.58 145.63 15.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.543 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.3 tt -146.34 140.38 26.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.601 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.401 ' HB2' ' HB3' ' A' ' 44' ' ' ALA . 1.8 mp -109.72 147.81 32.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.531 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.522 HH11 ' CG ' ' A' ' 43' ' ' GLU . 19.7 ttm180 -146.93 134.27 20.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.559 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.686 HD21 HD23 ' A' ' 55' ' ' LEU . 87.6 m-20 -94.97 161.04 14.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.569 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -52.52 -34.06 48.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.536 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.499 ' OE2' ' CZ ' ' A' ' 61' ' ' ARG . 98.3 mt-10 -65.1 -9.81 25.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.54 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.64 7.5 66.66 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.4 m -77.15 112.08 13.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.816 0.341 . . . . 0.0 110.576 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.522 ' CG ' HH11 ' A' ' 37' ' ' ARG . 99.8 mt-10 -76.75 100.22 5.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.635 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.691 ' HA ' ' HB1' ' A' ' 51' ' ' ALA . . . -84.41 57.56 4.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.569 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.475 ' HB3' HD22 ' A' ' 47' ' ' ASN . 13.0 mp0 -41.08 120.54 1.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.571 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.615 ' O ' ' CZ ' ' A' ' 24' ' ' PHE . . . -58.46 -30.18 66.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.56 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.475 HD22 ' HB3' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -74.99 22.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.558 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.482 ' H ' ' C ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -142.95 121.16 12.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.518 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.6 m -64.94 -36.48 77.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.56 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 81.6 mt -61.87 -35.42 67.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.674 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.691 ' HB1' ' HA ' ' A' ' 44' ' ' ALA . . . -65.64 -43.96 87.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.607 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.445 HD21 ' HB1' ' A' ' 20' ' ' ALA . 2.9 mp -58.49 -35.41 72.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.599 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.43 HD13 ' OD2' ' A' ' 56' ' ' ASP . 0.9 OUTLIER -68.1 -33.78 75.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.589 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 22.0 mmt -69.08 -35.7 76.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.572 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.686 HD23 HD21 ' A' ' 38' ' ' ASN . 95.3 mt -62.72 -25.4 68.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.603 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.43 ' OD2' HD13 ' A' ' 53' ' ' LEU . 94.6 m-20 -53.32 -35.12 59.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.616 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.1 m -82.5 1.83 35.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.561 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.716 ' O ' HG21 ' A' ' 9' ' ' ILE . . . -84.88 28.39 0.69 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.653 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -75.52 96.35 3.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.531 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 106.84 4.84 36.25 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.499 ' CZ ' ' OE2' ' A' ' 40' ' ' GLU . 95.1 mtt180 -107.34 162.73 13.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.818 0.342 . . . . 0.0 110.597 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -99.64 148.02 24.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.569 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.517 HG22 ' OD1' ' A' ' 38' ' ' ASN . 15.1 pt -134.71 160.18 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.565 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -119.53 102.56 8.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.541 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 25.4 t -81.92 122.46 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.574 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 53.7 tt0 -115.69 135.37 54.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.531 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.664 ' O ' HG22 ' A' ' 3' ' ' VAL . . . -135.53 131.53 36.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.569 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.535 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 37.3 m -124.62 130.32 52.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.569 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.533 ' N ' ' HB3' ' A' ' 72' ' ' GLU . . . 141.27 163.8 9.7 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -47.36 -48.44 15.16 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.809 2.339 . . . . 0.0 112.183 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 74' ' ' GLU . 77.3 mt-30 -92.94 7.86 42.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.563 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.533 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 25.4 pt-20 -39.35 -35.89 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.566 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -66.17 -46.51 77.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.587 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 71' ' ' GLN . 74.5 tt0 -55.54 -51.88 65.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.563 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.616 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -53.85 -48.39 70.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.549 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.4 mt -64.72 -44.73 89.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.493 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.47 -42.43 99.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.584 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.49 -44.82 93.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.487 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 75' ' ' ALA . 82.2 t -66.89 -43.62 89.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.531 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 55.5 mt -64.04 -42.13 94.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.576 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.58 -35.1 78.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.522 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -73.53 -39.43 64.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.459 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.535 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.3 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.822 0.344 . . . . 0.0 110.541 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 1.3 pttm -126.0 167.02 15.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.6 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.412 ' NE2' HD11 ' A' ' 80' ' ' ILE . 3.8 tt0 -168.76 135.34 1.84 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.525 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.07 134.11 35.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.598 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 71.7 t -136.3 126.81 41.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.574 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -71.83 130.66 41.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.664 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.664 HG21 ' O ' ' A' ' 58' ' ' ALA . 6.3 mm . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.561 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo . . . . . 0 N--CA 1.491 1.354 0 CA-C-O 120.817 0.257 . . . . 0.0 112.077 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.11 -46.29 91.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.481 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 68.2 mtp -63.25 -45.73 90.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.499 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -64.39 -39.14 93.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.442 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.459 HD21 ' CG2' ' A' ' 79' ' ' VAL . 1.7 mt -49.04 -45.3 42.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.525 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.53 ' CE1' ' O ' ' A' ' 46' ' ' ALA . 3.8 m-85 -55.58 -38.21 69.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.459 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -73.5 -35.41 65.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.451 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.661 HD22 ' CE1' ' A' ' 30' ' ' PHE . 66.1 mt -62.43 -44.21 96.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.47 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 48.2 mmm -56.06 -32.16 63.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.492 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -80.56 -43.21 21.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.534 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.78 -40.04 75.96 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.661 ' CE1' HD22 ' A' ' 26' ' ' LEU . 5.7 m-30 -98.82 158.6 15.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.791 0.329 . . . . 0.0 110.479 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.475 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 11.8 m-20 -103.17 92.95 4.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.527 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 174.49 154.36 0.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.552 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -99.54 127.38 45.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.601 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 81.8 t -106.67 138.32 32.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.583 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.7 tt -137.53 132.39 33.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.558 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.578 HD22 HG22 ' A' ' 65' ' ' VAL . 21.5 mt -107.18 150.58 26.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.555 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.8 ttp180 -150.87 135.94 17.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.617 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.544 HD21 HD23 ' A' ' 55' ' ' LEU . 93.2 m-20 -89.09 154.46 20.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.599 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.406 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 39.9 p-10 -56.28 -22.93 33.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.576 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -69.72 -17.49 63.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.598 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 102.56 10.09 39.17 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.4 m -86.96 116.28 24.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.824 0.345 . . . . 0.0 110.519 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -79.43 105.65 10.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.55 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.667 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -93.66 64.75 3.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.557 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.527 ' HG2' ' H ' ' A' ' 47' ' ' ASN . 72.3 tt0 -39.24 120.94 1.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.562 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.53 ' O ' ' CE1' ' A' ' 24' ' ' PHE . . . -59.27 -7.68 1.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.538 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.527 ' H ' ' HG2' ' A' ' 45' ' ' GLU . 28.7 t-20 -108.0 42.7 1.31 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.577 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.63 124.44 5.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.571 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.444 HG23 ' N ' ' A' ' 50' ' ' ILE . 34.5 m -64.3 -38.95 83.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.559 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.444 ' N ' HG23 ' A' ' 49' ' ' VAL . 88.3 mt -61.05 -35.92 68.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.623 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.667 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -65.36 -41.66 93.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.631 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 44.1 tp -59.97 -39.55 86.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.564 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.5 mt -63.76 -36.33 83.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.591 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 59.4 mtt -67.21 -38.72 85.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.539 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.544 HD23 HD21 ' A' ' 38' ' ' ASN . 96.6 mt -61.78 -26.95 68.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.488 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -53.71 -38.12 63.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.548 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 44.6 t -76.9 1.67 16.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.578 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.664 ' O ' HG21 ' A' ' 9' ' ' ILE . . . -90.02 30.57 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.556 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -75.44 95.41 3.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.571 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.52 4.69 40.15 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -104.09 167.79 9.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.766 0.317 . . . . 0.0 110.581 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -99.88 142.15 31.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.626 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.1 pt -130.06 163.49 35.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.588 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -120.72 108.02 13.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.547 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.578 HG22 HD22 ' A' ' 36' ' ' LEU . 94.1 t -89.88 126.18 42.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.613 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -122.2 138.07 54.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.555 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.1 134.44 34.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.494 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 29.8 m -131.05 132.37 44.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.491 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.484 ' N ' ' HB3' ' A' ' 72' ' ' GLU . . . 141.37 167.12 11.04 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -47.87 -43.96 28.28 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.84 2.36 . . . . 0.0 112.123 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -106.18 30.33 6.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.595 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.484 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 14.4 pt-20 -59.39 -38.08 79.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.565 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -64.06 -47.27 80.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.52 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -55.05 -51.04 67.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.519 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.63 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -53.04 -47.69 68.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.535 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.0 -44.74 95.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.514 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.85 -43.14 94.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.542 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.99 -43.3 99.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.531 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 75' ' ' ALA . 60.9 t -67.25 -44.69 87.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.477 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.412 HD11 ' NE2' ' A' ' 5' ' ' GLN . 45.2 mt -63.12 -40.72 90.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.47 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.96 -34.6 76.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.509 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -70.89 -40.66 72.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.527 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.533 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 7.6 m-30 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.548 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.551 ' O ' HG13 ' A' ' 3' ' ' VAL . 13.5 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.852 0.358 . . . . 0.0 110.627 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 3.9 pttm -123.27 168.38 12.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.515 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.541 ' HB2' HD21 ' A' ' 76' ' ' LEU . 6.8 mt-30 -165.62 134.22 3.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.612 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.19 127.2 32.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.618 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.2 t -123.41 130.27 74.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.47 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -86.72 122.7 30.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.552 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 65.1 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.576 179.898 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' A' ' 23' ' ' LEU . 47.5 Cg_endo . . . . . 0 N--CA 1.491 1.331 0 CA-C-O 120.743 0.226 . . . . 0.0 112.093 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.501 ' HB1' HD22 ' A' ' 52' ' ' LEU . . . -48.41 -53.12 18.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.477 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 44.8 mtm -63.54 -50.42 69.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.473 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -59.35 -33.17 70.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.497 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.651 HD21 ' CG2' ' A' ' 79' ' ' VAL . 2.7 mt -48.82 -51.54 28.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.465 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -51.9 -41.82 62.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.416 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -75.76 -35.25 60.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.462 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.604 HD11 ' CZ ' ' A' ' 30' ' ' PHE . 34.2 tp -63.83 -42.81 97.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.506 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.452 ' O ' ' O ' ' A' ' 30' ' ' PHE . 84.6 mtp -58.09 -32.65 68.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.527 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -66.19 -42.93 88.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.486 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.57 -32.31 34.29 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.604 ' CZ ' HD11 ' A' ' 26' ' ' LEU . 7.4 m-30 -93.61 133.04 37.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.752 0.311 . . . . 0.0 110.517 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.749 ' O ' ' HD2' ' A' ' 70' ' ' PRO . 84.9 m-20 -85.04 91.17 8.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.58 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.676 ' HB1' ' O ' ' A' ' 68' ' ' THR . . . 170.77 156.35 0.07 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.547 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -102.93 131.99 49.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.512 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 90.9 t -107.46 137.0 40.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.546 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.0 tt -134.57 131.98 38.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.532 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.547 HD23 HG22 ' A' ' 65' ' ' VAL . 7.2 mt -106.41 148.84 27.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.636 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.617 HH11 ' CG ' ' A' ' 43' ' ' GLU . 19.8 ttm180 -147.35 134.25 20.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.497 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.647 HD21 HD23 ' A' ' 55' ' ' LEU . 93.4 m-20 -91.36 157.89 16.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.639 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 59.5 t0 -53.48 -28.76 32.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.611 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -67.83 -11.73 59.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.582 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.69 14.91 57.59 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.4 m -84.03 114.56 21.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.778 0.323 . . . . 0.0 110.496 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.617 ' CG ' HH11 ' A' ' 37' ' ' ARG . 98.6 mt-10 -74.55 104.92 5.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.577 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.646 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -96.06 68.28 2.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.532 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.648 ' HB3' HD22 ' A' ' 47' ' ' ASN . 93.9 mt-10 -40.36 120.86 1.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.623 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.48 13.19 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.547 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.648 HD22 ' HB3' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -117.62 19.07 14.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.625 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.2 t -143.8 129.93 19.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.597 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.432 HG22 ' H ' ' A' ' 49' ' ' VAL . 12.0 m -64.23 -31.36 53.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.597 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 83.7 mt -61.81 -39.61 84.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.637 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.646 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -66.71 -41.33 88.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.568 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.501 HD22 ' HB1' ' A' ' 20' ' ' ALA . 79.8 mt -58.76 -36.85 75.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.605 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -67.37 -36.15 80.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.547 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 60.7 mtt -67.47 -39.15 85.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.525 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.647 HD23 HD21 ' A' ' 38' ' ' ASN . 96.5 mt -61.18 -36.95 81.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.546 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.408 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 66.3 t0 -48.67 -34.52 12.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.554 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.408 ' C ' ' H ' ' A' ' 59' ' ' LYS . 89.6 p -77.02 -7.68 56.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.533 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -79.65 28.86 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.544 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.44 ' HG2' ' H ' ' A' ' 59' ' ' LYS . 28.7 pttt -70.43 98.2 1.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.616 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.11 0.74 41.52 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 65.3 mtp85 -103.78 160.83 14.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 0.0 110.581 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -92.89 147.32 22.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.613 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.404 HD13 HG21 ' A' ' 63' ' ' ILE . 16.4 pt -132.83 159.71 43.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.557 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -119.64 97.54 5.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.566 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.547 HG22 HD23 ' A' ' 36' ' ' LEU . 14.9 t -79.0 128.36 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.576 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -126.94 140.51 52.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.472 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.09 137.46 37.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.579 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.676 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 39.3 m -125.26 142.2 51.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.556 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 127.89 -177.2 17.72 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.749 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 44.3 Cg_endo -71.7 -30.88 13.96 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.828 2.352 . . . . 0.0 112.087 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.746 ' NE2' ' H ' ' A' ' 31' ' ' ASP . 72.9 mt-30 -102.43 9.8 39.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.597 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.448 ' CG ' ' N ' ' A' ' 73' ' ' GLU . 22.3 pt-20 -46.57 -45.63 18.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.518 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.448 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 1.9 pt-20 -60.1 -44.49 94.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.515 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.405 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 90.5 mt-10 -61.58 -49.99 74.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.563 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.556 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -58.09 -47.37 83.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.465 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.541 HD21 ' HB2' ' A' ' 5' ' ' GLN . 3.4 tp -64.24 -45.97 85.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.519 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.53 -42.3 99.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.505 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.36 -45.32 93.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.478 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.651 ' CG2' HD21 ' A' ' 23' ' ' LEU . 96.8 t -68.08 -45.02 84.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.533 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 59.0 mt -62.55 -44.0 98.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.442 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.85 -34.04 73.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.49 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -74.21 -40.88 62.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.549 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.565 179.852 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 94.1 t . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.778 0.323 . . . . 0.0 110.576 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.623 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 48.3 pttt -123.25 174.52 7.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.645 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.623 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 52.2 mt-30 -163.86 134.58 4.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.479 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.17 124.62 28.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.641 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 93.2 t -125.08 133.21 70.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.512 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.462 ' OE1' ' N ' ' A' ' 8' ' ' GLU . 37.6 mp0 -88.22 128.1 35.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.541 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.425 HD12 ' HB1' ' A' ' 58' ' ' ALA . 36.5 mt . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.538 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo . . . . . 0 N--CA 1.491 1.328 0 CA-C-O 120.82 0.258 . . . . 0.0 112.113 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.492 ' HB1' ' CD2' ' A' ' 52' ' ' LEU . . . -64.62 -41.47 96.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.469 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 11.1 mmt -71.04 -48.03 55.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.472 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.8 tttm -61.3 -34.25 74.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.52 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.531 HD22 HG21 ' A' ' 34' ' ' VAL . 1.0 OUTLIER -46.73 -46.03 20.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.499 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.421 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 23.4 m-85 -56.7 -39.55 74.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.483 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -69.97 -37.82 75.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.417 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.614 ' O ' ' N ' ' A' ' 30' ' ' PHE . 5.8 mp -64.55 -43.18 94.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.49 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 83.9 mtp -56.94 -35.92 69.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.489 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -65.1 -41.17 95.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.488 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.15 -19.23 39.96 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.614 ' N ' ' O ' ' A' ' 26' ' ' LEU . 13.2 m-85 -100.73 122.7 43.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.821 0.343 . . . . 0.0 110.538 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.646 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 11.6 m-20 -79.33 95.35 5.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.596 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.646 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 163.75 153.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.615 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -101.17 129.24 47.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.618 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.531 HG21 HD22 ' A' ' 23' ' ' LEU . 27.6 m -108.1 142.19 21.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.517 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 tt -140.22 138.44 35.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.607 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 mp -109.45 149.87 28.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.602 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -148.85 135.75 19.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.614 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.726 HD21 HD23 ' A' ' 55' ' ' LEU . 96.4 m-20 -91.17 157.92 16.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.561 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 59.4 t0 -54.04 -28.2 37.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.591 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.61 ' OE2' ' NH2' ' A' ' 61' ' ' ARG . 43.8 mt-10 -66.56 -9.33 34.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.533 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.41 5.36 65.35 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.6 m -78.01 117.99 19.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.727 0.299 . . . . 0.0 110.59 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.4 ' H ' ' CD ' ' A' ' 43' ' ' GLU . 6.0 pm0 -81.58 103.31 11.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.579 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.592 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -90.6 70.29 6.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.535 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -38.8 120.54 0.97 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.574 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.447 ' CB ' HG23 ' A' ' 34' ' ' VAL . . . -57.92 -27.58 63.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.511 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -90.8 42.97 1.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.573 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.9 t -154.81 120.58 5.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.551 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.3 m -66.72 -32.51 58.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.629 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 86.9 mt -61.52 -36.36 72.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.581 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.592 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -69.67 -42.53 74.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.564 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.492 ' CD2' ' HB1' ' A' ' 20' ' ' ALA . 5.9 mp -56.21 -39.44 72.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.524 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.831 HD23 ' O ' ' A' ' 53' ' ' LEU . 1.7 tt -67.76 -35.75 79.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.539 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 14.3 tpt -70.36 -33.64 71.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.472 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.726 HD23 HD21 ' A' ' 38' ' ' ASN . 94.9 mt -63.5 -26.2 68.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.61 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.421 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 67.1 t0 -51.72 -33.19 33.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.558 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 84.8 p -78.75 -5.74 54.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.516 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.425 ' HB1' HD12 ' A' ' 9' ' ' ILE . . . -80.2 13.02 2.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.514 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.407 ' HG2' ' H ' ' A' ' 59' ' ' LYS . 31.1 pttt -60.76 97.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.562 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 103.65 1.68 46.51 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.61 ' NH2' ' OE2' ' A' ' 40' ' ' GLU . 25.1 mtp180 -103.7 159.66 15.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.776 0.322 . . . . 0.0 110.563 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -91.37 145.81 24.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.617 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 20.4 pt -132.69 161.0 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.588 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -121.78 100.04 6.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.591 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 8.6 t -81.0 128.78 38.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.538 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 75.4 tt0 -124.12 140.06 53.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.567 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.93 135.93 36.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.642 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 28.8 m -130.01 131.49 45.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.52 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.473 ' N ' ' HB3' ' A' ' 72' ' ' GLU . . . 138.05 167.4 11.01 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -47.78 -43.72 28.39 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.792 2.328 . . . . 0.0 112.045 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.558 ' NE2' ' OD2' ' A' ' 31' ' ' ASP . 79.0 mt-30 -98.36 20.4 12.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.578 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.473 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 22.7 pt-20 -52.78 -43.0 65.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.591 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.462 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 91.1 mt-10 -66.67 -45.29 79.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.501 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -63.7 -49.88 71.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.532 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.555 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -56.56 -48.12 78.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.481 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.438 HD23 HE21 ' A' ' 5' ' ' GLN . 4.9 tp -63.72 -43.84 95.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.522 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.62 -42.44 96.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.498 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.19 -44.29 95.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.482 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 75' ' ' ALA . 45.4 t -66.65 -43.21 90.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.463 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 68.3 mt -63.22 -42.19 95.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.556 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.16 -36.27 83.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.481 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 55.5 mt -72.35 -38.66 68.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.514 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.573 179.969 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.751 HG23 ' OE2' ' A' ' 72' ' ' GLU . 78.6 t . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.853 0.359 . . . . 0.0 110.481 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.568 ' HD3' ' H ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -111.34 151.82 27.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.552 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.447 ' OE1' HD11 ' A' ' 80' ' ' ILE . 55.4 tt0 -158.96 133.16 7.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.558 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.06 138.67 37.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.617 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 93.8 t -138.15 128.2 34.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.468 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -71.23 131.29 43.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.656 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.897 HG21 ' O ' ' A' ' 58' ' ' ALA . 4.8 mm . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.532 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo . . . . . 0 N--CA 1.491 1.382 0 CA-C-O 120.838 0.266 . . . . 0.0 112.111 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.782 ' HB1' HD22 ' A' ' 52' ' ' LEU . . . -63.35 -42.33 98.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.577 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 14.6 mmt -69.0 -41.53 77.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.482 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.8 tptt -63.56 -36.7 84.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.515 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.463 HD21 ' CG2' ' A' ' 79' ' ' VAL . 1.5 mt -49.01 -46.39 43.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.46 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.477 ' CE1' ' O ' ' A' ' 46' ' ' ALA . 6.1 m-85 -54.11 -40.02 66.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.492 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -72.61 -35.92 67.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.525 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.54 HD22 ' CE1' ' A' ' 30' ' ' PHE . 57.0 mt -63.02 -44.25 96.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.54 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.48 ' O ' ' O ' ' A' ' 30' ' ' PHE . 59.7 mtp -56.7 -35.68 68.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.557 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -73.19 -44.61 59.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.508 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.69 -33.35 63.5 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.54 ' CE1' HD22 ' A' ' 26' ' ' LEU . 5.9 m-30 -102.36 148.23 25.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.844 0.354 . . . . 0.0 110.593 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.543 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 92.6 m-20 -93.91 93.84 8.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.521 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.543 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 170.2 153.53 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.491 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 68' ' ' THR . 85.8 tt0 -98.26 133.88 42.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.591 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 73.8 t -107.8 140.18 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.478 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.414 HD21 ' CD ' ' A' ' 37' ' ' ARG . 1.2 tt -139.76 132.86 29.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.647 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.576 HD22 HG22 ' A' ' 65' ' ' VAL . 48.8 mt -108.82 151.25 26.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.49 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.414 ' CD ' HD21 ' A' ' 35' ' ' LEU . 56.5 mtp180 -148.35 134.32 19.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.538 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.812 HD21 HD23 ' A' ' 55' ' ' LEU . 79.0 m-20 -93.23 156.22 16.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.638 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.427 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 62.8 t0 -57.18 -29.9 64.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.613 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -65.61 -19.46 65.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.587 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 103.05 12.09 32.61 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 83.9 m -86.45 112.58 21.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 110.548 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -79.98 106.2 11.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.594 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.653 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -94.76 71.82 3.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.568 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.433 ' C ' ' H ' ' A' ' 47' ' ' ASN . 97.3 mt-10 -38.53 120.65 0.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.566 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.477 ' O ' ' CE1' ' A' ' 24' ' ' PHE . . . -64.38 0.29 1.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.604 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.433 ' H ' ' C ' ' A' ' 45' ' ' GLU . 54.1 p30 -112.52 27.9 9.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.611 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.5 m -144.67 125.41 14.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.615 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 35.4 m -65.46 -34.65 71.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.654 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 84.5 mt -61.54 -36.6 74.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.604 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.653 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -67.72 -40.69 84.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.562 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.782 HD22 ' HB1' ' A' ' 20' ' ' ALA . 91.9 mt -60.26 -39.04 85.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.584 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.779 HD23 ' O ' ' A' ' 53' ' ' LEU . 1.2 tt -68.14 -32.28 72.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.559 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 14.9 tpt -70.23 -36.08 74.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.571 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.812 HD23 HD21 ' A' ' 38' ' ' ASN . 97.6 mt -64.46 -23.1 67.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.583 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.411 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 66.4 t0 -51.07 -36.38 39.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.552 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.427 ' C ' ' H ' ' A' ' 59' ' ' LYS . 94.5 p -75.76 -8.15 56.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.481 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.897 ' O ' HG21 ' A' ' 9' ' ' ILE . . . -77.97 32.65 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.573 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.427 ' H ' ' C ' ' A' ' 57' ' ' SER . 65.4 tttp -75.41 96.18 3.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.532 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 103.23 5.71 46.03 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.441 ' O ' ' HB ' ' A' ' 9' ' ' ILE . 87.4 mtt-85 -102.45 164.42 11.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.801 0.334 . . . . 0.0 110.581 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -99.34 143.67 29.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.565 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.401 HG21 HD13 ' A' ' 63' ' ' ILE . 15.8 pt -133.74 161.02 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.58 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -119.27 104.24 10.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.531 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.576 HG22 HD22 ' A' ' 36' ' ' LEU . 36.0 t -84.0 128.2 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.563 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -124.6 139.51 53.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.548 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.57 136.07 37.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.501 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.495 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 3.8 m -129.2 131.01 47.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.578 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.491 ' N ' ' HB3' ' A' ' 72' ' ' GLU . . . 139.83 164.66 9.98 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -47.24 -45.39 22.13 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.801 2.334 . . . . 0.0 112.145 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -99.61 20.93 13.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.599 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.751 ' OE2' HG23 ' A' ' 3' ' ' VAL . 12.4 pt-20 -51.76 -38.16 54.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.601 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -64.32 -47.91 77.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.576 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 73.9 tt0 -53.47 -50.81 64.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.51 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.707 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -55.17 -48.24 74.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.584 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.96 -45.99 91.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.498 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.15 -42.32 99.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.542 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.16 -43.75 98.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.575 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 75' ' ' ALA . 49.4 t -66.37 -43.7 91.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.601 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.447 HD11 ' OE1' ' A' ' 5' ' ' GLN . 56.4 mt -64.29 -41.24 91.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.488 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.66 -36.01 82.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.608 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.0 mt -72.43 -37.58 68.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.512 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.578 179.952 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.5 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.825 0.345 . . . . 0.0 110.454 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 46.0 pttt -125.3 176.01 7.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.59 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.594 ' HB2' HD21 ' A' ' 76' ' ' LEU . 3.9 mt-30 -166.95 135.11 2.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.466 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.28 125.85 32.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.614 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 94.2 t -131.3 131.76 63.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.523 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -76.58 131.0 38.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.608 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.74 HG21 ' O ' ' A' ' 58' ' ' ALA . 6.7 mm . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.588 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo . . . . . 0 N--CA 1.491 1.333 0 CA-C-O 120.836 0.265 . . . . 0.0 112.138 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.611 ' HB1' HD22 ' A' ' 52' ' ' LEU . . . -59.43 -45.56 91.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.546 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 48.4 mtt -63.92 -44.82 91.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.511 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -63.61 -35.75 81.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.508 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.708 HD22 HG21 ' A' ' 34' ' ' VAL . 2.1 mt -47.29 -46.82 25.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.504 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.563 ' CE1' ' O ' ' A' ' 46' ' ' ALA . 9.8 m-85 -50.04 -37.08 31.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.455 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -78.05 -34.58 50.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.552 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.7 mt -61.34 -49.53 76.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.522 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.6 ' HG3' ' N ' ' A' ' 28' ' ' GLN . 2.1 ppp? -56.62 -31.41 64.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.545 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.6 ' N ' ' HG3' ' A' ' 27' ' ' MET . 68.2 mt-30 -79.11 -43.48 23.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.55 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.74 -36.24 74.8 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.461 ' CD2' ' N ' ' A' ' 30' ' ' PHE . 4.6 m-85 -100.85 162.21 13.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.35 . . . . 0.0 110.521 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.605 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 93.2 m-20 -100.75 92.92 5.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.543 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.605 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 167.28 157.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.549 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 68' ' ' THR . 86.8 tt0 -102.83 133.14 48.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.617 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.708 HG21 HD22 ' A' ' 23' ' ' LEU . 28.5 m -108.13 142.47 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.56 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 tt -142.44 137.99 30.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.56 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.654 HD23 HG22 ' A' ' 65' ' ' VAL . 9.9 mt -109.42 150.88 27.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.574 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -150.1 137.99 20.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.625 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.616 HD21 HD23 ' A' ' 55' ' ' LEU . 88.7 m-20 -91.68 154.76 18.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.571 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.469 ' OD1' ' N ' ' A' ' 40' ' ' GLU . 49.6 p-10 -54.86 -23.7 19.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.562 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.469 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 99.1 mt-10 -70.11 -16.19 63.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.571 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.92 9.96 47.52 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.6 m -85.16 115.32 22.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.711 0.291 . . . . 0.0 110.646 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -77.6 104.6 8.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.609 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.664 ' HA ' ' HB1' ' A' ' 51' ' ' ALA . . . -91.32 64.6 5.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.54 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -41.33 120.25 1.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.61 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.563 ' O ' ' CE1' ' A' ' 24' ' ' PHE . . . -62.75 -14.49 45.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.606 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.404 ' OD1' ' C ' ' A' ' 47' ' ' ASN . 45.2 p-10 -90.47 16.68 8.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.583 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 m -137.09 122.78 19.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.589 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.465 ' H ' HG22 ' A' ' 49' ' ' VAL . 3.7 m -64.03 -34.66 70.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.566 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 84.0 mt -62.41 -36.23 73.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.5 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.664 ' HB1' ' HA ' ' A' ' 44' ' ' ALA . . . -66.67 -40.83 88.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.573 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.611 HD22 ' HB1' ' A' ' 20' ' ' ALA . 91.9 mt -60.11 -36.85 78.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.573 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.3 tp -66.42 -36.39 82.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.587 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 20.4 mmt -66.54 -36.14 81.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.611 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.616 HD23 HD21 ' A' ' 38' ' ' ASN . 96.2 mt -63.76 -25.57 68.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.662 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -52.06 -36.92 52.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.553 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.472 ' C ' ' H ' ' A' ' 59' ' ' LYS . 92.6 p -76.87 -7.04 54.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.63 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.74 ' O ' HG21 ' A' ' 9' ' ' ILE . . . -75.99 29.99 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.58 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.472 ' H ' ' C ' ' A' ' 57' ' ' SER . 29.9 pttt -74.74 94.09 2.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.506 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 104.96 3.21 42.37 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.4 mtp85 -101.14 165.54 11.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.837 0.351 . . . . 0.0 110.564 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -100.51 142.79 31.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.599 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 21.5 pt -130.4 162.87 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.535 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -122.03 104.43 9.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.566 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.654 HG22 HD23 ' A' ' 36' ' ' LEU . 21.0 t -85.07 124.33 39.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.547 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -121.29 140.35 52.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.623 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.51 132.8 33.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.509 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.576 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 29.4 m -122.53 131.19 53.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.569 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.478 ' HA3' ' CB ' ' A' ' 32' ' ' ALA . . . 139.47 163.94 9.7 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -47.36 -46.94 18.72 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.844 2.363 . . . . 0.0 112.158 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.53 ' O ' ' N ' ' A' ' 74' ' ' GLU . 76.9 mt-30 -92.65 5.99 48.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.606 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.475 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 23.4 pt-20 -34.78 -37.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.553 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.479 ' HG3' ' H ' ' A' ' 74' ' ' GLU . 2.2 pt-20 -65.74 -47.27 75.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.606 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.53 ' N ' ' O ' ' A' ' 71' ' ' GLN . 35.2 tp10 -55.71 -52.46 63.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.582 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.498 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -54.76 -46.5 74.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.463 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.594 HD21 ' HB2' ' A' ' 5' ' ' GLN . 57.5 tp -65.47 -43.16 91.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.532 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.73 -42.39 98.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.584 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.47 -43.22 99.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.511 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.546 ' CG2' HD21 ' A' ' 23' ' ' LEU . 85.7 t -67.1 -41.75 87.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.513 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 47.3 mt -67.01 -38.89 82.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.55 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.35 -37.36 85.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.467 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.3 mt -68.34 -38.88 81.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.454 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.571 ' CD2' ' N ' ' A' ' 83' ' ' PHE . 6.7 m-30 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.521 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.9 ptp . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.719 HG22 ' OG1' ' A' ' 68' ' ' THR . 74.6 p -84.09 159.0 21.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.568 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.7 t -133.21 119.21 34.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.586 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 20.7 pttp -125.52 174.15 8.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.557 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.646 ' HB2' HD21 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -162.9 131.69 4.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.559 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.45 128.18 33.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.541 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 89.1 t -129.38 124.28 59.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.562 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -80.67 126.63 31.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.662 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.5 mm -89.56 105.28 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.559 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.406 ' H ' HG22 ' A' ' 10' ' ' THR . 0.1 OUTLIER -83.25 57.22 3.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.583 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 24.5 m120 61.34 28.4 17.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.605 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.52 ' HG2' ' H ' ' A' ' 14' ' ' GLY . 86.0 tttt -169.19 96.56 0.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.521 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.511 HD22 ' CZ ' ' A' ' 83' ' ' PHE . 0.8 OUTLIER -60.38 -4.34 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.541 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.52 ' H ' ' HG2' ' A' ' 12' ' ' LYS . . . 144.0 -157.87 27.23 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 98.3 mtp -70.15 90.19 0.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.806 0.336 . . . . 0.0 110.558 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 32.2 m80 57.53 -137.06 0.98 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.551 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -103.1 6.25 38.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.525 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.535 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 4.4 mmt85 -56.33 -49.68 92.0 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.535 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.535 ' CD ' ' N ' ' A' ' 18' ' ' ARG . 52.8 Cg_exo -47.4 -54.1 5.55 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.85 2.367 . . . . 0.0 112.086 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.424 ' HB1' HD22 ' A' ' 52' ' ' LEU . . . -59.86 -45.72 91.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.545 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 94.0 mtp -67.07 -41.62 86.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.515 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.3 mmtm -62.74 -37.76 87.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.502 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.493 HD21 ' CG2' ' A' ' 79' ' ' VAL . 2.0 mt -49.85 -46.21 51.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.537 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.518 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 13.2 m-85 -55.72 -38.83 70.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.55 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -73.87 -35.66 64.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.505 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.668 HD22 ' CE1' ' A' ' 30' ' ' PHE . 85.7 mt -67.16 -43.31 82.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.469 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 5.0 ttt -55.59 -28.78 57.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.546 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -84.51 -33.73 23.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.562 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.12 -36.15 32.33 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.668 ' CE1' HD22 ' A' ' 26' ' ' LEU . 7.5 m-85 -100.95 160.19 14.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.753 0.311 . . . . 0.0 110.558 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.532 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 68.2 t0 -103.26 93.05 4.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.542 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.532 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 170.97 158.09 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.603 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -102.45 126.16 49.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.541 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 91.5 t -103.68 135.07 43.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.556 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.1 tt -136.36 137.36 40.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.561 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.463 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 1.4 mp -108.64 150.13 27.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.537 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.497 HH11 ' CG ' ' A' ' 43' ' ' GLU . 17.7 ttm180 -147.39 135.59 21.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.574 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.579 HD21 HD23 ' A' ' 55' ' ' LEU . 88.1 m-20 -91.78 156.48 17.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.56 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -52.75 -28.22 21.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.59 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.632 ' OE2' ' NH2' ' A' ' 61' ' ' ARG . 44.3 mt-10 -67.73 -11.16 57.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.567 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.71 11.63 58.98 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 m -84.35 117.21 23.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.827 0.346 . . . . 0.0 110.552 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.497 ' CG ' HH11 ' A' ' 37' ' ' ARG . 96.3 mt-10 -77.93 103.24 7.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.581 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.651 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -89.27 65.34 7.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.58 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -40.94 120.53 1.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.553 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.518 ' O ' ' CZ ' ' A' ' 24' ' ' PHE . . . -62.84 -8.72 7.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.547 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.406 ' OD1' ' C ' ' A' ' 47' ' ' ASN . 47.5 p30 -100.44 26.7 6.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.556 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 t -145.09 124.23 12.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.518 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.5 m -63.98 -35.07 72.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.618 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 85.1 mt -61.96 -36.46 74.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.614 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.651 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -66.11 -42.43 89.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.545 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.424 HD22 ' HB1' ' A' ' 20' ' ' ALA . 43.4 tp -58.41 -38.48 77.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.547 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 7.2 mt -65.33 -36.76 85.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.546 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 22.8 mmt -67.77 -37.76 82.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.545 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.579 HD23 HD21 ' A' ' 38' ' ' ASN . 96.5 mt -62.52 -34.36 76.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.588 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -54.07 -34.2 59.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.567 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 84.7 p -77.49 -6.54 53.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.616 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -82.87 29.36 0.46 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.549 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -69.37 97.27 0.95 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.616 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.88 4.98 39.0 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.632 ' NH2' ' OE2' ' A' ' 40' ' ' GLU . 29.8 mtp180 -106.23 164.92 11.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.796 0.331 . . . . 0.0 110.602 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -98.7 143.67 28.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.62 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.5 pt -130.89 163.87 35.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.569 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -124.86 101.72 7.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.52 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 21.3 t -81.63 126.63 39.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.546 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -119.38 138.5 53.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.568 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.07 131.23 32.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.571 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.719 ' OG1' HG22 ' A' ' 2' ' ' THR . 54.8 m -123.9 129.78 51.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.501 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.46 ' O ' ' HB3' ' A' ' 72' ' ' GLU . . . 141.67 162.18 9.06 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -47.91 -45.21 25.34 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.817 2.344 . . . . 0.0 112.08 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 74' ' ' GLU . 77.1 mt-30 -94.14 6.84 47.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.527 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.46 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 21.1 pt-20 -38.25 -35.8 0.19 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.53 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -64.59 -49.17 72.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.522 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 71' ' ' GLN . 75.5 tt0 -57.41 -52.36 65.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.52 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.677 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -54.43 -49.77 69.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.496 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.646 HD21 ' HB2' ' A' ' 5' ' ' GLN . 56.6 tp -64.27 -44.66 91.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.463 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.37 -42.44 99.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.445 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.19 -44.4 97.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.462 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 75' ' ' ALA . 51.3 t -66.02 -43.34 92.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.452 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 51.3 mt -64.07 -41.56 92.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.443 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.81 -36.71 84.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.486 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 65.0 mt -72.61 -39.75 67.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.448 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.521 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 6.0 m-30 -67.84 -31.37 71.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.553 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.522 ' O ' ' OG ' ' A' ' 85' ' ' SER . 36.8 t-20 -83.04 -3.59 57.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.574 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.522 ' OG ' ' O ' ' A' ' 84' ' ' ASN . 8.1 p . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.568 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.495 ' O ' ' OE1' ' A' ' 72' ' ' GLU . 67.1 ttp . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.738 HG22 ' OG1' ' A' ' 68' ' ' THR . 80.6 p -77.39 156.68 31.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.608 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.578 ' O ' HG13 ' A' ' 3' ' ' VAL . 8.9 p -139.73 121.88 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.467 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.0 pttt -124.59 172.0 9.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.564 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.685 ' HB2' HD21 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -164.05 130.57 3.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.504 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.44 128.19 33.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.624 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.8 t -131.47 126.33 58.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.517 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.2 mp0 -69.71 136.64 51.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.571 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.843 HG21 ' O ' ' A' ' 58' ' ' ALA . 3.4 mm -88.1 118.91 34.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.585 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.669 HG23 ' O ' ' A' ' 10' ' ' THR . 11.4 t -137.96 115.38 11.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.464 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.848 ' O ' ' OD1' ' A' ' 11' ' ' ASN . 57.4 t-20 77.27 15.44 1.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.488 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.768 ' HB2' ' O ' ' A' ' 11' ' ' ASN . 4.9 tttp 99.77 -179.36 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.541 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.6 mt -54.98 -1.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.528 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.566 ' H ' ' C ' ' A' ' 12' ' ' LYS . . . 160.36 -170.93 36.47 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 76.7 mtm -57.37 -39.14 75.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.835 0.35 . . . . 0.0 110.538 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.931 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 74.6 m80 -142.36 -180.0 6.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.502 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.18 -1.39 23.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.564 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.531 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 17.8 mtt85 -58.59 -48.98 95.9 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.551 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.931 ' HD2' ' O ' ' A' ' 16' ' ' HIS . 52.1 Cg_exo -47.79 -57.52 2.28 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.826 2.351 . . . . 0.0 112.118 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.581 ' HB1' HD11 ' A' ' 52' ' ' LEU . . . -60.29 -43.97 95.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.617 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 57.8 mtt -67.67 -41.13 84.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.605 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -61.16 -37.89 84.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.516 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.442 HD21 ' CG2' ' A' ' 79' ' ' VAL . 1.5 mt -48.92 -45.79 42.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.562 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -57.21 -40.27 77.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.506 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -72.87 -34.91 67.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.543 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.512 ' HG ' ' CE1' ' A' ' 30' ' ' PHE . 0.9 OUTLIER -69.05 -41.46 77.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.503 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.481 ' SD ' ' O ' ' A' ' 32' ' ' ALA . 14.3 mmm -53.82 -33.29 55.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.504 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -79.47 -39.66 31.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.539 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.95 -41.58 87.49 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.588 ' CD2' ' N ' ' A' ' 30' ' ' PHE . 5.3 m-30 -95.62 166.15 11.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.792 0.33 . . . . 0.0 110.548 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.512 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 13.7 m-20 -108.13 92.63 4.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.547 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 172.53 153.34 0.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.619 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 68' ' ' THR . 84.0 tt0 -98.33 135.3 40.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.555 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 83.6 t -107.73 138.28 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.521 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.442 HD21 ' NE ' ' A' ' 37' ' ' ARG . 0.9 OUTLIER -137.18 129.16 29.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.589 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.646 ' CD2' HG13 ' A' ' 65' ' ' VAL . 20.4 mt -106.29 152.83 23.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.591 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.442 ' NE ' HD21 ' A' ' 35' ' ' LEU . 92.4 mtt180 -146.91 133.84 20.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.605 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.592 HD21 ' HB2' ' A' ' 58' ' ' ALA . 4.2 t-20 -89.27 152.88 21.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.48 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.426 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 32.8 p-10 -52.51 -30.58 31.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.625 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -70.9 -4.78 26.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.528 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.22 18.92 58.31 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.5 m -85.41 110.53 19.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 110.545 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -71.72 104.58 3.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.552 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.649 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -100.4 77.2 1.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.512 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.432 ' C ' ' H ' ' A' ' 47' ' ' ASN . 96.4 mt-10 -40.25 121.44 1.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.578 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.436 ' HB2' ' HG ' ' A' ' 36' ' ' LEU . . . -66.58 3.78 0.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.558 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.432 ' H ' ' C ' ' A' ' 45' ' ' GLU . 76.9 m-20 -119.81 28.74 7.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.518 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.8 t -143.87 126.96 16.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.577 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.404 HG22 ' H ' ' A' ' 49' ' ' VAL . 3.2 m -65.46 -32.65 59.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.547 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 83.6 mt -62.67 -37.5 79.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.562 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.649 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -65.71 -42.19 91.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.512 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.581 HD11 ' HB1' ' A' ' 20' ' ' ALA . 4.3 tp -58.05 -38.44 76.3 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.563 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.6 mt -59.24 -39.7 83.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.568 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 56.7 mtt -67.75 -40.32 84.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.499 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.509 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 91.2 mt -61.73 -31.35 71.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.547 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -49.69 -39.26 36.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.618 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.495 ' C ' ' H ' ' A' ' 59' ' ' LYS . 90.8 p -74.21 -9.24 58.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.633 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.843 ' O ' HG21 ' A' ' 9' ' ' ILE . . . -74.52 29.29 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.527 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.495 ' H ' ' C ' ' A' ' 57' ' ' SER . 88.8 tttt -70.34 96.33 1.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.469 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 101.0 9.19 46.09 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.46 ' O ' ' HB ' ' A' ' 9' ' ' ILE . 18.1 mmt180 -104.38 171.89 7.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.784 0.326 . . . . 0.0 110.553 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -106.51 141.66 37.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.638 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.4 HG21 HD13 ' A' ' 63' ' ' ILE . 21.9 pt -131.54 164.28 34.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.54 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -124.02 103.05 8.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.563 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.646 HG13 ' CD2' ' A' ' 36' ' ' LEU . 21.4 t -84.04 131.96 32.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.592 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -127.05 140.13 52.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.593 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -135.28 135.34 40.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.568 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.738 ' OG1' HG22 ' A' ' 2' ' ' THR . 31.3 m -129.1 131.25 47.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.575 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.45 ' N ' ' HB3' ' A' ' 72' ' ' GLU . . . 140.61 165.89 10.48 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -47.61 -42.95 29.02 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.876 2.384 . . . . 0.0 112.104 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -102.24 23.85 11.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.595 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.495 ' OE1' ' O ' ' A' ' 1' ' ' MET . 18.2 pt-20 -52.68 -39.15 61.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.611 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -65.07 -48.2 74.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.613 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -56.48 -48.24 77.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.6 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.696 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -57.24 -46.51 82.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.575 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.685 HD21 ' HB2' ' A' ' 5' ' ' GLN . 44.7 tp -64.22 -44.77 90.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.526 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.93 -42.39 98.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.592 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.76 -43.18 99.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.616 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 75' ' ' ALA . 42.0 t -67.59 -44.76 86.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.561 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 45.0 mt -63.35 -41.35 92.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.505 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.88 -34.73 78.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.485 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -72.98 -39.33 66.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.506 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -67.76 -32.64 73.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.552 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -86.4 -6.53 58.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.559 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.1 t . . . . . 0 C--O 1.219 -0.539 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.648 179.966 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.0 mtm . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.862 HG22 ' OG1' ' A' ' 68' ' ' THR . 18.0 p -113.41 138.52 49.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.661 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.775 ' O ' HD11 ' A' ' 76' ' ' LEU . 88.7 t -136.35 121.92 28.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.506 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.535 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 8.6 pttm -120.87 162.36 19.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.633 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.535 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 60.2 mt-30 -157.1 127.72 6.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.493 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.77 127.57 32.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.543 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 69.7 t -131.68 133.22 61.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.55 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -74.73 138.18 42.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.577 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.885 HG21 ' O ' ' A' ' 58' ' ' ALA . 15.2 mm -86.59 120.18 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.567 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.712 ' O ' ' HB3' ' A' ' 11' ' ' ASN . 35.7 m -137.86 97.39 3.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.505 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.712 ' HB3' ' O ' ' A' ' 10' ' ' THR . 47.1 t30 85.36 26.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.536 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.671 ' HB2' ' O ' ' A' ' 11' ' ' ASN . 56.6 mttm 86.94 -161.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.549 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.534 ' O ' ' HG2' ' A' ' 19' ' ' PRO . 63.3 mt -80.7 16.21 1.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.531 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 133.07 -123.4 3.44 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.584 ' O ' ' N ' ' A' ' 17' ' ' ALA . 67.4 mtt -93.71 118.41 31.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.824 0.345 . . . . 0.0 110.591 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.484 ' ND1' ' N ' ' A' ' 17' ' ' ALA . 19.7 t-80 53.19 -80.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.506 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.584 ' N ' ' O ' ' A' ' 15' ' ' MET . . . -170.94 3.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.51 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.578 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 10.5 mtm180 -41.47 -46.57 8.44 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.527 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.581 ' HD2' ' C ' ' A' ' 17' ' ' ALA . 51.8 Cg_exo -47.92 -46.36 22.01 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.78 2.32 . . . . 0.0 112.052 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.578 ' HB1' HD22 ' A' ' 52' ' ' LEU . . . -61.09 -49.1 78.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.53 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 59.2 mtt -64.09 -42.48 96.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.477 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -63.43 -37.21 86.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.494 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.612 HD21 ' CG2' ' A' ' 79' ' ' VAL . 2.6 mt -54.3 -44.34 71.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.42 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -55.72 -39.98 71.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.458 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -72.09 -35.76 69.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.455 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.525 HD22 ' CE1' ' A' ' 30' ' ' PHE . 65.3 mt -63.54 -43.35 97.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.549 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.416 ' O ' ' O ' ' A' ' 30' ' ' PHE . 82.6 mtp -57.39 -35.72 70.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.529 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -74.1 -42.14 60.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.501 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.53 -35.42 59.48 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.525 ' CE1' HD22 ' A' ' 26' ' ' LEU . 6.8 m-30 -99.7 154.54 18.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.775 0.321 . . . . 0.0 110.537 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.828 ' O ' ' HD2' ' A' ' 70' ' ' PRO . 82.3 m-20 -100.24 92.59 5.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.569 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.713 ' HB1' ' O ' ' A' ' 68' ' ' THR . . . 171.75 151.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.565 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 67' ' ' ALA . 67.6 tt0 -96.29 133.59 40.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.595 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.462 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 61.4 t -108.54 144.64 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.59 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.405 ' CD2' ' NH1' ' A' ' 37' ' ' ARG . 2.1 tt -145.93 130.71 18.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.63 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.59 HD23 HG22 ' A' ' 65' ' ' VAL . 1.4 mp -115.15 154.26 29.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.5 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.405 ' NH1' ' CD2' ' A' ' 35' ' ' LEU . 11.3 ptp85 -157.84 145.72 18.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.566 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.463 HD21 HD23 ' A' ' 55' ' ' LEU . 74.6 m-20 -92.15 157.75 16.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.55 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' A' ' 40' ' ' GLU . 52.1 p-10 -60.25 -23.9 64.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.593 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.474 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 98.2 mt-10 -67.19 -20.15 65.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.585 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.16 7.08 29.15 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.8 m -84.03 112.42 20.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.743 0.306 . . . . 0.0 110.5 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -84.03 107.57 16.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.537 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.678 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -95.15 72.96 3.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.59 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.492 ' C ' ' H ' ' A' ' 47' ' ' ASN . 94.6 mt-10 -37.14 121.03 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.585 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 34' ' ' VAL . . . -60.35 -1.12 0.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.519 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.492 ' H ' ' C ' ' A' ' 45' ' ' GLU . 50.5 t30 -121.76 46.18 2.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.583 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.5 t -156.41 126.39 6.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.564 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 35.9 m -66.35 -36.85 78.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.625 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 83.8 mt -61.39 -34.94 63.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.537 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.678 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -66.72 -39.66 88.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.581 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.578 HD22 ' HB1' ' A' ' 20' ' ' ALA . 49.4 tp -59.48 -40.37 86.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.549 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.6 mt -64.29 -37.44 87.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.542 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 23.0 mmt -66.36 -37.9 86.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.543 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.488 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 96.1 mt -63.6 -23.84 67.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.491 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -55.31 -38.11 68.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.584 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 75.6 m -77.99 0.62 23.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.598 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.885 ' O ' HG21 ' A' ' 9' ' ' ILE . . . -88.08 31.03 0.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.564 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.5 pttm -75.22 95.77 3.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.539 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 104.96 6.1 40.34 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 59.7 mtp85 -104.22 161.04 14.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.75 0.31 . . . . 0.0 110.572 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -94.96 144.04 25.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.564 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.408 ' CD1' HD11 ' A' ' 9' ' ' ILE . 46.7 pt -132.08 165.19 32.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.524 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -125.24 102.56 7.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.568 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.59 HG22 HD23 ' A' ' 36' ' ' LEU . 6.3 t -83.2 132.15 32.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.549 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -127.76 139.85 52.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.578 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.404 ' HA ' ' O ' ' A' ' 33' ' ' GLU . . . -138.94 140.58 38.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.589 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.862 ' OG1' HG22 ' A' ' 2' ' ' THR . 51.4 m -129.66 140.13 51.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.586 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 132.73 -178.95 17.72 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.828 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 48.2 Cg_endo -72.62 -25.89 17.02 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.836 2.357 . . . . 0.0 112.088 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -112.66 15.42 19.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.506 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.449 ' OE1' HG23 ' A' ' 3' ' ' VAL . 12.7 pt-20 -51.8 -42.65 62.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.606 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -58.3 -47.46 83.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.554 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -56.48 -51.32 68.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.53 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.456 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -50.75 -47.66 59.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.572 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.775 HD11 ' O ' ' A' ' 3' ' ' VAL . 92.0 mt -65.56 -41.11 93.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.591 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.84 -43.31 94.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.572 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.52 -43.29 97.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.566 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.612 ' CG2' HD21 ' A' ' 23' ' ' LEU . 65.7 t -68.78 -44.98 81.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.534 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 47.1 mt -64.96 -40.52 89.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.453 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.85 -34.9 78.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.537 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.7 mt -72.85 -37.64 67.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.5 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.536 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 7.3 m-30 -70.36 -34.13 72.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.52 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -71.71 -13.41 61.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.585 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.8 t . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.534 -179.957 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.9 tpt . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.75 HG22 ' OG1' ' A' ' 68' ' ' THR . 74.4 p -85.34 157.18 20.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.611 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' ' 67' ' ' ALA . 24.8 m -126.15 121.04 58.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.517 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.2 mttp -120.37 143.29 48.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.708 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.483 ' OE1' HD23 ' A' ' 76' ' ' LEU . 68.2 mt-30 -145.3 135.12 23.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.533 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.03 126.47 39.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.565 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.4 p -130.07 136.33 59.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.58 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -75.89 129.91 37.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.542 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.598 HG21 ' O ' ' A' ' 58' ' ' ALA . 4.2 mm -82.73 117.1 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.57 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.671 ' O ' ' HB3' ' A' ' 11' ' ' ASN . 43.1 m -131.46 102.87 6.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.507 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.671 ' HB3' ' O ' ' A' ' 10' ' ' THR . 46.4 t30 79.78 37.47 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.51 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.606 ' HB2' ' O ' ' A' ' 11' ' ' ASN . 88.3 mttt 80.8 -174.15 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.525 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.698 ' N ' HD12 ' A' ' 13' ' ' LEU . 7.6 mp -71.4 16.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.545 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.507 ' H ' ' C ' ' A' ' 12' ' ' LYS . . . 147.9 -173.53 27.92 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 63.1 mtt -58.16 -36.06 72.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.818 0.342 . . . . 0.0 110.564 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.853 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 75.2 m80 -143.08 -177.27 5.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.511 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.59 3.67 7.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.558 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.512 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 12.0 mmm-85 -55.29 -50.17 88.19 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.613 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.853 ' HD2' ' O ' ' A' ' 16' ' ' HIS . 53.7 Cg_exo -47.09 -58.51 1.69 Allowed 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.837 2.358 . . . . 0.0 112.096 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.461 ' HB1' HD22 ' A' ' 52' ' ' LEU . . . -61.19 -40.81 95.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.574 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 56.0 mtt -68.57 -42.53 78.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.562 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -59.21 -40.24 85.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.549 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.444 HD21 ' CG2' ' A' ' 79' ' ' VAL . 3.7 mt -47.58 -43.14 25.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.501 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.529 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 10.1 m-85 -57.51 -42.7 83.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.503 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -72.06 -35.6 69.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.441 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.29 -40.76 77.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.514 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.483 ' SD ' ' O ' ' A' ' 32' ' ' ALA . 13.0 mmm -53.91 -37.03 63.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.501 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -72.75 -39.07 67.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.522 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.55 -35.31 32.99 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.507 ' CD2' ' N ' ' A' ' 30' ' ' PHE . 9.0 m-30 -95.72 136.23 36.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.725 0.297 . . . . 0.0 110.574 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.857 ' O ' ' HD2' ' A' ' 70' ' ' PRO . 83.3 m-20 -88.87 94.33 9.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.636 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.649 ' HB1' ' O ' ' A' ' 68' ' ' THR . . . 170.75 152.57 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.6 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' ' 67' ' ' ALA . 40.3 tp10 -95.39 129.83 42.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.582 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.8 m -106.25 144.83 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.592 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.2 tt -147.07 133.6 19.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.551 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.623 HD23 HG22 ' A' ' 65' ' ' VAL . 9.6 mt -106.95 152.25 24.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.574 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 43.7 mtp85 -146.79 132.02 18.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.569 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.497 ' HA ' HG22 ' A' ' 63' ' ' ILE . 7.4 t-20 -86.16 157.55 19.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.516 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -50.22 -37.09 33.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.593 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -68.07 0.47 3.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.565 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.57 22.33 62.42 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.1 m -87.6 111.67 21.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.883 0.373 . . . . 0.0 110.55 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -71.88 104.89 3.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.609 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.636 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -94.41 68.79 3.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.468 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -44.95 120.48 2.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.539 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.529 ' O ' ' CZ ' ' A' ' 24' ' ' PHE . . . -62.47 -38.17 88.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.562 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.44 ' O ' ' CG ' ' A' ' 47' ' ' ASN . 14.4 t-20 -64.34 1.12 0.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.543 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.456 ' H ' ' C ' ' A' ' 46' ' ' ALA . 11.2 t -122.39 120.76 34.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.561 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.453 ' H ' HG22 ' A' ' 49' ' ' VAL . 3.9 m -65.06 -30.94 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.536 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 79.0 mt -61.6 -36.05 70.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.644 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.636 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -68.2 -40.81 82.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.517 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 52' ' ' LEU . 80.1 mt -58.26 -39.88 80.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.536 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 68.5 tp -66.65 -35.85 81.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.587 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 15.0 tpt -66.66 -35.64 80.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.561 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.474 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 96.1 mt -65.87 -24.0 66.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.515 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -50.8 -37.07 40.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.509 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.407 ' C ' ' H ' ' A' ' 59' ' ' LYS . 96.8 p -77.84 -7.72 57.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.548 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.598 ' O ' HG21 ' A' ' 9' ' ' ILE . . . -79.88 29.68 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.554 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.407 ' H ' ' C ' ' A' ' 57' ' ' SER . 30.2 ttpt -74.21 97.83 3.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.583 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 104.15 8.81 38.06 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 54.3 mtt85 -106.21 170.76 7.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.764 0.316 . . . . 0.0 110.58 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -105.2 139.46 39.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.557 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.497 HG22 ' HA ' ' A' ' 38' ' ' ASN . 31.0 pt -127.94 163.38 31.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.554 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -121.35 107.13 12.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.625 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.623 HG22 HD23 ' A' ' 36' ' ' LEU . 21.8 t -87.0 123.46 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.556 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -121.07 137.5 54.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.59 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.495 ' CB ' HD13 ' A' ' 76' ' ' LEU . . . -139.45 138.19 36.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.576 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.75 ' OG1' HG22 ' A' ' 2' ' ' THR . 23.1 m -126.46 138.41 53.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.569 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.431 ' O ' ' OE2' ' A' ' 72' ' ' GLU . . . 136.66 -177.9 19.3 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.857 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 48.0 Cg_endo -72.36 -29.48 13.82 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.88 2.386 . . . . 0.0 112.097 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.477 ' OE1' ' N ' ' A' ' 31' ' ' ASP . 81.8 mt-30 -107.84 10.4 28.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.491 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.431 ' OE2' ' O ' ' A' ' 69' ' ' GLY . 13.1 pt-20 -47.44 -44.4 24.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.54 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.446 ' HG3' ' H ' ' A' ' 74' ' ' GLU . 3.1 pt-20 -58.79 -44.0 90.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.538 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.446 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 87.0 mt-10 -58.91 -47.66 84.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.573 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.629 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -54.56 -45.99 73.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.546 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.495 HD13 ' CB ' ' A' ' 67' ' ' ALA . 3.4 mp -65.16 -43.56 91.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.527 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.77 -44.08 97.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.516 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.85 -43.41 96.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.503 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 75' ' ' ALA . 59.3 t -69.32 -44.21 80.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.47 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 51.8 mt -62.53 -42.22 95.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.45 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.68 -34.99 78.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.471 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.4 ' HA ' HD22 ' A' ' 82' ' ' LEU . 2.0 mm? -73.11 -40.53 64.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.513 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.454 ' CZ ' ' HB3' ' A' ' 13' ' ' LEU . 3.0 m-85 -68.66 -32.61 72.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.542 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -86.52 -1.7 57.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.547 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 53.2 m . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.526 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.9 mtt . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.407 HG23 ' OG1' ' A' ' 68' ' ' THR . 0.1 OUTLIER 62.87 129.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.509 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.497 ' O ' ' CD1' ' A' ' 76' ' ' LEU . 99.3 t -137.38 116.31 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.602 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.675 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 1.4 pttm -117.61 169.44 9.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.61 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.675 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 32.3 mt-30 -163.22 130.09 3.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.509 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.71 125.3 29.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.613 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 94.0 t -128.77 125.8 63.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.557 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -72.55 133.88 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.602 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.773 HG21 ' O ' ' A' ' 58' ' ' ALA . 4.0 mm -84.06 120.05 34.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.583 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.678 ' O ' ' HB3' ' A' ' 11' ' ' ASN . 54.5 m -137.0 106.14 6.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.568 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.83 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 55.5 t30 85.45 12.14 0.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.572 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.83 ' HB2' ' O ' ' A' ' 11' ' ' ASN . 10.9 tttp 101.49 179.29 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.573 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 69.7 mt -53.0 -4.7 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.465 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.54 ' H ' ' C ' ' A' ' 12' ' ' LYS . . . 158.19 -144.46 10.47 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 94.8 mtp -56.49 -73.82 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.832 0.349 . . . . 0.0 110.549 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.562 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 76.8 m80 -130.04 41.25 3.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.539 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.562 ' HB3' ' O ' ' A' ' 16' ' ' HIS . . . 72.48 -4.28 2.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.515 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.574 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 2.8 mtt85 -41.57 -46.84 8.99 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.562 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 18' ' ' ARG . 53.0 Cg_exo -47.54 -42.78 28.76 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.736 2.291 . . . . 0.0 112.123 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.574 ' HB1' HD21 ' A' ' 52' ' ' LEU . . . -61.75 -48.68 79.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.462 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 17.0 mmt -64.49 -40.56 95.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.536 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -65.96 -35.73 81.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.513 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.505 HD21 ' CG2' ' A' ' 79' ' ' VAL . 2.1 mt -49.79 -45.94 50.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.552 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.51 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 10.7 m-85 -54.35 -38.41 66.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.49 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -74.36 -34.9 63.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.569 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.515 HD22 ' CE1' ' A' ' 30' ' ' PHE . 69.3 mt -64.39 -44.0 92.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.506 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 74.3 mtp -56.51 -33.5 66.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.531 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -78.36 -43.09 28.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.553 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.31 -39.69 81.39 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.574 ' CD2' ' N ' ' A' ' 30' ' ' PHE . 5.0 m-30 -97.7 165.87 11.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.816 0.341 . . . . 0.0 110.602 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.548 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 89.0 m-20 -108.57 94.79 5.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.545 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.548 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 169.96 153.26 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.559 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 68' ' ' THR . 86.2 tt0 -97.57 130.99 44.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.643 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 83.7 t -107.75 137.8 37.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.48 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.522 HD21 ' HE ' ' A' ' 37' ' ' ARG . 1.4 tt -138.77 132.6 30.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.65 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.518 HD11 ' HB2' ' A' ' 46' ' ' ALA . 1.6 mp -106.99 154.05 21.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.561 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.522 ' HE ' HD21 ' A' ' 35' ' ' LEU . 99.7 mtt180 -143.18 135.11 26.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.62 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.465 HD21 ' HB2' ' A' ' 58' ' ' ALA . 7.2 t-20 -90.91 149.38 21.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.572 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.85 -30.82 10.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.502 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -70.72 -8.1 49.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.537 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.79 11.09 59.46 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.9 m -81.27 113.12 19.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.822 0.344 . . . . 0.0 110.516 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -73.35 102.76 3.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.574 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.679 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -91.3 62.88 4.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.587 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.507 ' C ' ' H ' ' A' ' 47' ' ' ASN . 37.6 mt-10 -40.24 120.21 1.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.604 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.518 ' HB2' HD11 ' A' ' 36' ' ' LEU . . . -58.98 -1.81 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.547 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.507 ' H ' ' C ' ' A' ' 45' ' ' GLU . 36.3 p30 -111.19 41.47 1.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.577 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.26 126.61 5.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.566 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.412 HG22 ' H ' ' A' ' 49' ' ' VAL . 3.4 m -65.76 -35.11 74.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.625 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.424 ' O ' ' SD ' ' A' ' 54' ' ' MET . 84.2 mt -64.08 -34.8 71.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.608 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.679 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -65.54 -45.32 83.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.539 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.574 HD21 ' HB1' ' A' ' 20' ' ' ALA . 4.4 mp -58.89 -36.52 74.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.555 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.3 mt -68.45 -35.92 78.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.571 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.424 ' SD ' ' O ' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -66.17 -37.75 86.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.517 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.477 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 96.8 mt -64.77 -23.36 67.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.555 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.401 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 65.3 t0 -54.36 -36.69 64.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.611 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.5 m -78.67 1.71 21.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.51 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.773 ' O ' HG21 ' A' ' 9' ' ' ILE . . . -89.32 30.19 1.01 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.662 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -72.33 96.68 1.9 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.6 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 103.33 8.33 41.27 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.426 ' O ' ' HB ' ' A' ' 9' ' ' ILE . 27.2 mmm-85 -104.94 177.09 4.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.817 0.342 . . . . 0.0 110.584 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 26.7 pt20 -110.89 146.28 36.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.553 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.403 HG21 HD13 ' A' ' 63' ' ' ILE . 23.4 pt -134.12 160.68 41.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.552 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -120.21 100.2 7.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.625 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 38.3 t -81.79 128.3 38.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.589 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -121.24 136.74 54.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.535 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' A' ' 33' ' ' GLU . . . -134.89 133.08 39.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.556 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 33' ' ' GLU . 32.2 m -128.64 130.12 46.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.556 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.451 ' N ' ' HB3' ' A' ' 72' ' ' GLU . . . 141.71 167.18 11.14 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -47.64 -43.35 28.42 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.828 2.352 . . . . 0.0 112.153 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -102.37 24.71 9.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.58 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.451 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 18.9 pt-20 -53.03 -40.77 64.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.549 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.401 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 87.0 mt-10 -65.64 -46.48 79.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.604 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -56.63 -49.41 75.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.541 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.559 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -54.99 -46.69 75.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.582 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.497 ' CD1' ' O ' ' A' ' 3' ' ' VAL . 1.7 mt -65.35 -43.27 91.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.571 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.08 -43.12 95.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.533 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.78 -43.57 98.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.579 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 75' ' ' ALA . 58.2 t -67.98 -44.09 85.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.501 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.488 ' CD1' ' NE2' ' A' ' 5' ' ' GLN . 55.5 mt -64.48 -42.01 93.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.529 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.6 -34.95 78.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.491 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.3 mt -74.06 -38.62 63.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.532 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -68.44 -32.87 73.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.531 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -80.32 -10.1 59.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.531 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.58 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.415 ' O ' HG23 ' A' ' 68' ' ' THR . 4.6 mtt . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.746 HG22 ' OG1' ' A' ' 68' ' ' THR . 81.7 p -138.66 158.65 43.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.574 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 74.4 t -129.63 117.07 40.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.492 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 51.2 pttt -126.02 175.32 7.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.675 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.517 ' NE2' HD11 ' A' ' 80' ' ' ILE . 6.1 tt0 -169.13 135.27 1.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.437 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.03 130.27 35.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.611 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 74.4 t -134.36 129.01 52.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.574 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -70.51 128.03 34.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.556 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.4 ' HB ' ' O ' ' A' ' 61' ' ' ARG . 5.8 mm -79.9 117.09 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.639 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.701 ' O ' ' HB3' ' A' ' 11' ' ' ASN . 52.4 m -130.08 106.08 8.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.475 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.701 ' HB3' ' O ' ' A' ' 10' ' ' THR . 55.1 t30 85.76 26.88 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.483 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.696 ' HB2' ' O ' ' A' ' 11' ' ' ASN . 55.0 mttp 85.13 -154.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.519 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.852 ' HG ' ' HB2' ' A' ' 20' ' ' ALA . 2.5 mm? -51.08 -14.59 0.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.646 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.48 ' O ' ' ND2' ' A' ' 11' ' ' ASN . . . 146.21 -106.52 0.38 Allowed Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.496 ' SD ' ' NH1' ' A' ' 18' ' ' ARG . 56.0 ttm -64.43 -35.55 81.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.831 0.348 . . . . 0.0 110.575 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.48 ' ND1' ' N ' ' A' ' 17' ' ' ALA . 16.0 t-80 176.21 -77.53 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.548 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.48 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -147.27 -10.01 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.52 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.547 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 9.5 mtm180 -58.13 -48.46 97.02 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.525 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 18' ' ' ARG . 53.5 Cg_exo -47.41 -54.63 4.83 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.857 2.371 . . . . 0.0 112.023 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.852 ' HB2' ' HG ' ' A' ' 13' ' ' LEU . . . -61.01 -47.07 88.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.476 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 57.2 mtt -63.78 -40.26 96.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.537 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -63.44 -37.38 87.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.592 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.563 HD22 HG21 ' A' ' 34' ' ' VAL . 1.8 mt -48.39 -42.68 32.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.533 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.459 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 19.9 m-85 -58.49 -41.9 86.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.466 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -69.65 -37.2 76.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.53 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.976 HD12 ' CE1' ' A' ' 30' ' ' PHE . 4.1 mm? -66.59 -39.58 88.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.503 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.466 ' SD ' ' O ' ' A' ' 32' ' ' ALA . 0.4 OUTLIER -51.46 -33.51 31.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.539 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -80.17 -41.29 25.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.566 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.72 -39.01 90.3 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.976 ' CE1' HD12 ' A' ' 26' ' ' LEU . 9.5 m-30 -100.88 154.92 18.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.767 0.318 . . . . 0.0 110.578 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.498 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 88.8 m-20 -101.26 92.48 4.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.546 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.498 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 172.99 155.16 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.589 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -99.76 133.9 43.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.571 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.563 HG21 HD22 ' A' ' 23' ' ' LEU . 26.9 m -111.67 145.09 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.578 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.7 tt -144.41 138.19 27.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.571 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.653 HD23 HG22 ' A' ' 65' ' ' VAL . 13.1 mt -109.15 146.89 33.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.579 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -145.99 134.2 21.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.568 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -86.33 153.61 21.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.541 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -53.3 -31.55 44.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.58 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -67.74 -5.16 14.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.524 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.13 20.66 48.65 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.2 m -88.51 112.62 23.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.802 0.334 . . . . 0.0 110.55 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.476 ' OE1' ' N ' ' A' ' 43' ' ' GLU . 58.4 mp0 -77.32 105.26 8.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.556 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.574 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -99.98 76.58 1.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.552 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -42.24 121.41 1.88 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.563 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.459 ' O ' ' CZ ' ' A' ' 24' ' ' PHE . . . -69.79 0.72 5.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.503 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.682 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 0.1 OUTLIER -106.9 14.44 26.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.583 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 55.0 m -135.07 129.78 34.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.554 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.434 ' H ' HG22 ' A' ' 49' ' ' VAL . 4.4 m -64.6 -31.89 55.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.611 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 90.0 mt -61.56 -38.08 79.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.536 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.574 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -67.74 -39.65 84.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.575 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.665 HD22 ' HB1' ' A' ' 20' ' ' ALA . 87.7 mt -59.08 -39.96 83.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.616 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 53' ' ' LEU . 6.0 mt -70.03 -34.11 72.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.526 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.3 ttm -66.21 -40.48 90.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.538 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.47 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 95.2 mt -64.51 -23.83 67.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.58 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -55.27 -38.53 68.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.605 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 61.4 m -72.69 -8.1 53.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.575 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -84.47 10.53 10.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.578 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.431 ' CG ' ' O ' ' A' ' 59' ' ' LYS . 12.0 ptmt -53.37 101.51 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.606 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 104.63 1.3 43.22 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.4 ' O ' ' HB ' ' A' ' 9' ' ' ILE . 74.7 mtt180 -101.6 173.26 6.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.813 0.34 . . . . 0.0 110.63 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -100.73 144.22 29.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.589 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 33.3 pt -133.67 161.76 40.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.657 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -122.39 104.75 9.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.592 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.653 HG22 HD23 ' A' ' 36' ' ' LEU . 39.7 t -84.28 126.85 40.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.568 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -120.37 138.89 53.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.559 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.81 131.45 31.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.531 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.746 ' OG1' HG22 ' A' ' 2' ' ' THR . 47.6 m -126.26 131.29 51.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.574 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.431 ' N ' ' HB3' ' A' ' 72' ' ' GLU . . . 140.24 165.0 10.12 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -47.85 -41.17 32.28 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.809 2.34 . . . . 0.0 112.117 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -101.49 19.62 17.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.598 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.431 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 23.2 pt-20 -48.89 -39.87 27.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.54 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.411 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 91.4 mt-10 -64.71 -48.5 74.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.541 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.4 tp10 -54.11 -50.41 66.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.597 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.531 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -54.74 -47.52 73.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.523 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.444 HD21 HE21 ' A' ' 5' ' ' GLN . 6.7 tp -62.05 -43.85 97.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.557 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.27 -42.61 98.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.486 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.09 -44.09 97.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.518 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 75' ' ' ALA . 61.3 t -67.37 -43.94 87.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.466 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.517 HD11 ' NE2' ' A' ' 5' ' ' GLN . 54.0 mt -64.9 -39.37 85.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.489 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.28 -36.99 85.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.52 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.469 HD13 ' HA ' ' A' ' 19' ' ' PRO . 55.3 mt -69.82 -40.85 75.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.537 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.585 ' CE1' ' O ' ' A' ' 13' ' ' LEU . 6.3 m-30 -69.96 -30.54 67.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.48 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -85.07 -2.09 57.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.548 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.7 t . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.561 -179.973 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.401 ' O ' HG23 ' A' ' 68' ' ' THR . 96.5 mtp . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.787 HG22 ' OG1' ' A' ' 68' ' ' THR . 69.6 p -134.31 157.64 45.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.567 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.507 HG12 ' CD2' ' A' ' 76' ' ' LEU . 47.3 t -127.7 117.93 47.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.475 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt -115.93 151.08 36.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.586 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.501 ' HB2' HD21 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -153.45 133.13 13.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.519 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.64 127.72 35.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.614 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 86.3 t -129.71 133.11 65.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.492 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -83.62 125.08 31.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.655 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.471 HD12 ' HB1' ' A' ' 58' ' ' ALA . 20.9 mt -78.64 117.86 24.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.491 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.722 ' O ' ' HB2' ' A' ' 11' ' ' ASN . 40.1 m -131.7 100.26 5.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.627 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.786 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 36.2 m120 84.05 32.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.713 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.786 ' HB2' ' O ' ' A' ' 11' ' ' ASN . 63.0 mttm 88.66 -178.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.659 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.521 ' O ' ' HG2' ' A' ' 19' ' ' PRO . 84.5 mt -68.66 22.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.602 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.585 ' H ' ' C ' ' A' ' 12' ' ' LYS . . . 115.25 -103.1 1.19 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 59.0 ttm -103.99 111.39 23.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.75 0.309 . . . . 0.0 110.581 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 59.2 m170 47.07 -112.5 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.602 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -134.3 13.66 3.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.573 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.55 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 1.1 mpt_? -53.16 -48.6 91.56 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.538 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 18' ' ' ARG . 51.0 Cg_exo -49.19 -55.03 4.54 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.862 2.375 . . . . 0.0 112.061 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 1.009 ' HB1' HD21 ' A' ' 52' ' ' LEU . . . -61.3 -44.01 97.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.514 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 64.4 mtt -68.89 -43.01 76.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.525 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -60.31 -37.13 79.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.579 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.628 HD21 ' CG2' ' A' ' 79' ' ' VAL . 3.3 mt -50.55 -45.67 57.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.544 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.461 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 8.2 m-85 -54.85 -39.08 68.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.566 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -76.14 -35.97 58.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.539 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.562 ' O ' ' N ' ' A' ' 30' ' ' PHE . 89.5 mt -64.73 -43.05 94.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.547 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 87.5 mtp -59.61 -37.33 78.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.63 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 29.8 tp60 -57.33 -41.7 80.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.544 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -97.07 -19.3 26.68 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.562 ' N ' ' O ' ' A' ' 26' ' ' LEU . 7.3 m-85 -95.12 121.5 36.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.749 0.309 . . . . 0.0 110.591 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.697 ' H ' ' NE2' ' A' ' 71' ' ' GLN . 98.4 m-20 -79.09 94.79 5.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.572 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.662 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 163.03 155.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.569 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -102.97 128.14 49.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.548 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 70.3 t -106.98 138.18 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.484 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.7 tt -136.45 136.83 39.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.688 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.405 HD11 ' HB2' ' A' ' 46' ' ' ALA . 1.2 mp -108.72 145.17 35.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.563 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.618 HH11 ' CG ' ' A' ' 43' ' ' GLU . 19.4 ttm180 -142.42 134.16 26.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.572 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.429 ' HA ' HG22 ' A' ' 63' ' ' ILE . 97.5 m-20 -87.41 155.52 19.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.518 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 40' ' ' GLU . 46.5 p-10 -56.57 -26.41 55.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.603 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.444 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 99.3 mt-10 -69.35 -22.59 63.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.56 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.13 4.66 31.0 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 m -80.62 111.42 17.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.816 0.341 . . . . 0.0 110.626 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.618 ' CG ' HH11 ' A' ' 37' ' ' ARG . 99.7 mt-10 -70.98 100.48 1.99 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.62 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.767 ' HA ' ' HB1' ' A' ' 51' ' ' ALA . . . -84.31 47.33 1.32 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.561 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -39.52 119.91 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.664 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.486 ' C ' ' H ' ' A' ' 48' ' ' SER . . . -55.3 -33.4 63.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.623 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.538 ' O ' ' CG ' ' A' ' 47' ' ' ASN . 0.1 OUTLIER -74.53 33.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.594 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.486 ' H ' ' C ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -155.27 125.77 6.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.578 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.458 HG23 ' N ' ' A' ' 50' ' ' ILE . 32.8 m -68.07 -38.87 80.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.617 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.458 ' N ' HG23 ' A' ' 49' ' ' VAL . 82.3 mt -60.43 -33.32 53.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.561 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.767 ' HB1' ' HA ' ' A' ' 44' ' ' ALA . . . -65.65 -42.37 91.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.632 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 1.009 HD21 ' HB1' ' A' ' 20' ' ' ALA . 6.7 mt -59.7 -37.65 79.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.628 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.405 ' O ' ' HB2' ' A' ' 56' ' ' ASP . 65.4 tp -64.4 -36.21 83.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.58 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 21.3 mmt -67.66 -35.81 79.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.512 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.524 HD21 ' CB ' ' A' ' 44' ' ' ALA . 94.4 mt -60.88 -24.04 65.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.594 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 53' ' ' LEU . 96.1 m-20 -56.42 -35.78 68.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.582 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 89.6 p -84.95 2.44 42.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.544 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.471 ' HB1' HD12 ' A' ' 9' ' ' ILE . . . -87.48 24.32 1.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.619 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -75.03 99.21 3.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.542 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.39 0.04 40.43 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 88.2 mtt-85 -102.47 165.7 10.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.779 0.324 . . . . 0.0 110.545 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -100.17 141.86 32.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.516 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.429 HG22 ' HA ' ' A' ' 38' ' ' ASN . 43.5 pt -127.17 159.39 37.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.618 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -116.97 107.79 14.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.583 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.5 t -88.29 117.39 31.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.621 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -113.97 135.6 53.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.64 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.43 ' O ' ' HB2' ' A' ' 72' ' ' GLU . . . -134.5 129.12 34.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.588 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.787 ' OG1' HG22 ' A' ' 2' ' ' THR . 65.9 m -123.12 130.28 52.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.572 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.52 ' O ' ' HB3' ' A' ' 72' ' ' GLU . . . 139.93 165.09 10.15 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -46.93 -45.72 20.19 Favored 'Trans proline' 0 C--N 1.303 -1.832 0 C-N-CA 122.874 2.383 . . . . 0.0 112.139 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.697 ' NE2' ' H ' ' A' ' 31' ' ' ASP . 77.4 mt-30 -90.77 5.13 49.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.638 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.52 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 21.3 pt-20 -39.79 -40.21 0.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.603 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.427 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 94.6 mt-10 -65.64 -49.1 69.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.597 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -63.86 -50.14 69.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.528 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.96 -47.69 74.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.559 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.507 ' CD2' HG12 ' A' ' 3' ' ' VAL . 58.4 tp -63.62 -42.59 98.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.554 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.14 -41.41 96.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.553 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.87 -46.3 88.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.639 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.628 ' CG2' HD21 ' A' ' 23' ' ' LEU . 96.2 t -65.11 -42.6 94.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.572 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 50.7 mt -66.73 -39.33 83.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.576 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.5 -36.74 83.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.619 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.6 mt -69.79 -41.1 75.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.535 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.58 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 6.8 m-30 -70.84 -29.52 65.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.6 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.497 ' O ' ' HB2' ' A' ' 85' ' ' SER . 53.3 t30 -88.5 -7.5 56.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.589 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.497 ' HB2' ' O ' ' A' ' 84' ' ' ASN . 72.2 m . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.061 -0.971 . . . . 0.0 110.542 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.502 ' O ' HG23 ' A' ' 68' ' ' THR . 59.9 mtt . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.794 HG22 ' OG1' ' A' ' 68' ' ' THR . 66.2 p -135.35 156.0 49.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.538 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 78.9 t -135.52 118.83 23.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.554 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.557 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 47.4 pttt -123.39 170.56 10.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.683 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.557 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 50.5 mt-30 -157.98 133.43 8.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.476 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.6 127.04 33.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.621 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 53.5 t -130.35 125.97 60.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.506 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -71.29 133.8 46.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.651 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.424 ' HB ' ' O ' ' A' ' 61' ' ' ARG . 12.8 mm -98.59 108.63 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.599 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.88 ' O ' HG22 ' A' ' 10' ' ' THR . 54.2 m -142.14 34.83 1.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.593 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.785 ' CB ' ' O ' ' A' ' 10' ' ' THR . 62.1 t-20 109.54 11.36 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.527 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 1.021 ' HB3' ' O ' ' A' ' 83' ' ' PHE . 45.2 mttm -103.64 -8.44 19.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.552 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.4 tp -59.13 13.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.589 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.709 ' H ' ' C ' ' A' ' 12' ' ' LYS . . . 104.12 139.42 10.11 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 97.6 mmm -57.35 -43.69 83.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.786 0.327 . . . . 0.0 110.554 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.576 ' C ' ' H ' ' A' ' 18' ' ' ARG . 57.4 t-80 -165.01 84.01 0.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.577 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.828 ' HB1' ' HG2' ' A' ' 21' ' ' MET . . . 55.18 2.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.508 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.576 ' H ' ' C ' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -43.6 -59.62 3.26 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.604 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.471 ' HD2' ' N ' ' A' ' 18' ' ' ARG . 40.7 Cg_endo -70.7 -51.47 0.3 Allowed 'Trans proline' 0 C--N 1.304 -1.809 0 C-N-CA 122.807 2.338 . . . . 0.0 112.098 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.776 ' HB1' HD21 ' A' ' 52' ' ' LEU . . . -51.97 -55.44 20.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.544 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.828 ' HG2' ' HB1' ' A' ' 17' ' ' ALA . 39.0 mmm -58.6 -47.12 85.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.509 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.496 ' NZ ' HD13 ' A' ' 26' ' ' LEU . 64.8 tttm -61.23 -37.81 84.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.6 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.574 HD21 ' CG2' ' A' ' 79' ' ' VAL . 3.6 mt -49.66 -50.04 44.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.578 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.552 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 5.8 m-85 -49.81 -42.82 47.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.593 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -78.21 -34.25 49.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.491 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.496 HD13 ' NZ ' ' A' ' 22' ' ' LYS . 4.6 tp -63.87 -45.57 88.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.546 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 43.5 mtm -61.31 -35.68 78.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.519 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -58.06 -41.66 83.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.546 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.71 -21.99 27.28 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.485 ' HB2' ' O ' ' A' ' 26' ' ' LEU . 3.2 m-85 -91.27 125.25 35.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.822 0.344 . . . . 0.0 110.563 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.696 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 93.5 m-20 -78.29 96.31 5.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.519 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.696 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 158.86 152.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.573 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 67' ' ' ALA . 87.0 tt0 -100.71 130.16 46.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.678 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 92.8 t -105.98 137.22 37.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.535 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.5 tt -136.73 134.6 37.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.605 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.411 ' HB2' ' HB3' ' A' ' 44' ' ' ALA . 1.0 OUTLIER -105.19 151.39 24.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.492 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.5 mtt180 -148.0 134.25 19.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.565 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.629 HD21 HD23 ' A' ' 55' ' ' LEU . 92.5 m-20 -92.78 157.46 16.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.553 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.406 ' O ' ' OD1' ' A' ' 39' ' ' ASP . 65.5 t0 -52.89 -31.41 39.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.586 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -67.18 -11.31 57.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.621 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.28 15.57 55.31 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 m -85.08 113.48 21.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.738 0.304 . . . . 0.0 110.579 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -72.06 100.86 2.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.534 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.636 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -86.73 58.35 5.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.594 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -41.29 119.93 1.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.58 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.552 ' O ' ' CZ ' ' A' ' 24' ' ' PHE . . . -59.64 -31.22 69.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.551 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 56.9 p30 -76.7 28.6 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.534 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.463 ' H ' ' C ' ' A' ' 46' ' ' ALA . 7.3 t -148.66 123.2 9.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.606 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.468 ' H ' HG22 ' A' ' 49' ' ' VAL . 3.7 m -65.8 -33.44 63.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.559 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 85.4 mt -60.71 -35.92 67.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.599 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.636 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -66.87 -45.46 78.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.529 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.776 HD21 ' HB1' ' A' ' 20' ' ' ALA . 2.5 mp -54.95 -36.53 65.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.583 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.9 mt -70.09 -35.99 74.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.583 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 21.4 mmt -68.34 -35.64 78.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.599 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.629 HD23 HD21 ' A' ' 38' ' ' ASN . 97.4 mt -62.39 -32.66 73.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.578 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -52.37 -30.37 28.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.553 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 84.9 p -82.35 -5.63 58.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.612 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.77 29.29 0.54 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.565 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -71.99 97.06 1.8 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.635 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.62 4.28 40.01 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.424 ' O ' ' HB ' ' A' ' 9' ' ' ILE . 92.4 mtt-85 -106.08 159.55 15.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.759 0.314 . . . . 0.0 110.609 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -93.31 143.95 25.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.583 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 33.7 pt -129.6 160.03 41.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.607 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -122.14 98.59 6.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.541 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 40.8 t -80.35 126.2 39.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.541 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -119.2 138.62 52.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.601 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.431 ' O ' ' HB2' ' A' ' 72' ' ' GLU . . . -137.02 131.53 32.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.597 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.794 ' OG1' HG22 ' A' ' 2' ' ' THR . 60.2 m -124.96 129.93 51.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.547 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.484 ' O ' ' HB3' ' A' ' 72' ' ' GLU . . . 138.66 165.5 10.3 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -47.01 -43.13 25.17 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.815 2.344 . . . . 0.0 112.143 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.635 ' NE2' ' H ' ' A' ' 31' ' ' ASP . 77.9 mt-30 -95.0 12.92 26.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.557 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.484 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 22.2 pt-20 -46.76 -44.07 18.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.606 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.476 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 38.3 mt-10 -66.77 -45.29 78.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.594 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -61.13 -49.01 79.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.599 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.07 -46.5 68.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.564 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.464 HD11 ' HA ' ' A' ' 4' ' ' LYS . 1.5 mt -66.77 -41.86 87.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.526 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.27 -44.18 97.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.528 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.17 -44.36 97.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.5 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.574 ' CG2' HD21 ' A' ' 23' ' ' LEU . 83.9 t -68.88 -41.94 82.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.608 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 44.5 mt -64.9 -42.67 95.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.574 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.74 -34.5 75.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.604 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.9 mt -74.86 -37.63 62.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.573 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 1.021 ' O ' ' HB3' ' A' ' 12' ' ' LYS . 3.3 m-85 -69.68 -33.98 73.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.613 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -73.44 -12.1 60.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.542 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.1 m . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.602 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.454 ' O ' ' O ' ' A' ' 2' ' ' THR . 27.3 ttt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.454 ' O ' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER 56.76 116.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.57 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.546 ' O ' HD12 ' A' ' 76' ' ' LEU . 96.7 t -137.86 117.43 15.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.558 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.58 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 48.5 pttt -119.73 166.65 12.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.619 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.58 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 22.7 mt-30 -159.48 131.88 6.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.505 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.79 128.18 33.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.669 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 97.3 t -130.79 131.21 64.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.495 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -78.61 135.24 37.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.685 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.0 mm -93.66 127.84 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.478 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 1.133 ' O ' ' OD1' ' A' ' 11' ' ' ASN . 51.1 m -133.79 97.67 3.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.615 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 1.133 ' OD1' ' O ' ' A' ' 10' ' ' THR . 1.4 m120 94.17 -26.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.601 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.77 ' HB3' ' O ' ' A' ' 11' ' ' ASN . 15.7 ptpt 154.53 -172.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.595 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.573 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 91.4 mt -56.74 -39.81 74.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.583 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.571 ' O ' ' HD2' ' A' ' 12' ' ' LYS . . . 170.97 -127.25 1.42 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 67.8 mtt -71.73 94.32 1.36 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.753 0.311 . . . . 0.0 110.569 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 78.9 m80 56.96 -109.22 0.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.557 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -132.32 2.29 3.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.621 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.535 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 2.0 mtt85 -53.16 -49.02 90.02 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.581 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.535 ' CD ' ' N ' ' A' ' 18' ' ' ARG . 52.1 Cg_exo -47.66 -58.68 1.6 Allowed 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.781 2.321 . . . . 0.0 112.108 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.464 ' HB1' HD22 ' A' ' 52' ' ' LEU . . . -61.7 -42.88 99.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.481 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 12.0 mmt -65.05 -43.96 90.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.503 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -62.28 -38.4 89.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.573 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.515 HD21 ' CG2' ' A' ' 79' ' ' VAL . 3.4 mt -47.43 -44.9 25.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.538 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -52.73 -38.48 60.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.572 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -75.15 -31.41 61.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.48 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.689 HD22 ' CE1' ' A' ' 30' ' ' PHE . 68.7 mt -65.07 -44.17 89.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.553 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.422 ' SD ' ' O ' ' A' ' 32' ' ' ALA . 36.0 mmm -52.3 -30.79 29.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.576 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -81.19 -42.46 20.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.544 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.23 -40.32 55.97 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.689 ' CE1' HD22 ' A' ' 26' ' ' LEU . 3.5 m-30 -100.48 150.78 22.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.793 0.33 . . . . 0.0 110.595 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.528 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 11.7 m-20 -99.95 95.15 6.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.621 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.528 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 171.36 150.32 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.517 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 68' ' ' THR . 86.1 tt0 -94.97 139.17 31.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.596 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.9 m -114.97 146.37 19.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.499 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 tt -143.1 137.67 29.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.667 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.67 HD23 HG22 ' A' ' 65' ' ' VAL . 20.4 mt -110.7 150.14 29.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.533 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -151.15 132.93 14.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.559 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.567 HD21 HD23 ' A' ' 55' ' ' LEU . 96.4 m-20 -87.13 156.93 19.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.555 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 40' ' ' GLU . 48.1 p-10 -53.41 -23.43 9.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.6 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.434 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 99.4 mt-10 -72.55 -6.13 41.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.578 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.53 20.01 59.18 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 m -89.38 116.43 27.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.338 . . . . 0.0 110.562 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -82.57 104.89 13.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.63 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 1.013 ' HB1' ' HB1' ' A' ' 51' ' ' ALA . . . -102.79 96.36 6.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.612 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 97.4 mt-10 -43.09 121.82 2.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.518 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.65 -3.26 20.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.537 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -110.74 22.59 15.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.592 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 39.5 t -137.69 134.18 35.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.57 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.95 -30.95 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.53 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 84.0 mt -61.47 -39.18 82.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.613 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 1.013 ' HB1' ' HB1' ' A' ' 44' ' ' ALA . . . -69.08 -40.06 78.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.636 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.464 HD22 ' HB1' ' A' ' 20' ' ' ALA . 92.1 mt -60.68 -40.08 90.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.525 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.0 mt -63.82 -38.91 92.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.629 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 97.7 mtp -70.04 -39.05 75.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.553 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.567 HD23 HD21 ' A' ' 38' ' ' ASN . 91.5 mt -64.13 -30.2 71.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.538 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -54.0 -35.86 62.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.562 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.412 ' C ' ' H ' ' A' ' 59' ' ' LYS . 75.6 m -73.61 -4.59 35.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.585 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -79.44 29.41 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.563 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.412 ' H ' ' C ' ' A' ' 57' ' ' SER . 13.4 pttp -70.06 98.3 1.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.543 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 104.21 6.94 41.5 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -110.71 157.15 20.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.756 0.313 . . . . 0.0 110.561 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -92.27 143.85 25.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.578 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 28.2 pt -130.8 162.49 38.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.542 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -122.55 105.39 10.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.613 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.67 HG22 HD23 ' A' ' 36' ' ' LEU . 48.9 t -85.74 130.2 36.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.592 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -123.27 139.49 53.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.614 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.35 138.09 37.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.492 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.45 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 32.5 m -133.74 130.74 38.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.483 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.491 ' N ' ' HB3' ' A' ' 72' ' ' GLU . . . 142.97 165.37 10.61 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -47.64 -42.23 29.85 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.792 2.328 . . . . 0.0 112.081 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -107.8 29.5 7.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.56 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.491 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 17.0 pt-20 -58.14 -37.89 75.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.586 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -63.33 -47.92 80.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.558 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -55.64 -48.22 75.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.583 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.6 -48.39 72.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.582 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.546 HD12 ' O ' ' A' ' 3' ' ' VAL . 0.9 OUTLIER -65.88 -41.68 91.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.557 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.68 -43.76 93.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.559 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.25 -43.87 98.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.558 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.515 ' CG2' HD21 ' A' ' 23' ' ' LEU . 92.1 t -67.82 -44.16 85.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.511 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.416 ' CD1' ' NE2' ' A' ' 5' ' ' GLN . 49.6 mt -64.4 -40.51 89.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.534 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.79 -36.87 84.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.543 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 50.3 mt -71.54 -40.26 70.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.559 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.573 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 6.9 m-30 -70.62 -30.42 67.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.546 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.627 ' O ' ' OG ' ' A' ' 85' ' ' SER . 55.6 t30 -87.24 -3.25 59.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.566 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.627 ' OG ' ' O ' ' A' ' 84' ' ' ASN . 0.4 OUTLIER . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 118.074 -0.965 . . . . 0.0 110.617 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.402 ' O ' ' OE2' ' A' ' 72' ' ' GLU . 55.4 ttp . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.81 HG22 ' OG1' ' A' ' 68' ' ' THR . 78.1 p -84.69 155.17 22.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.586 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.656 HG23 ' OE1' ' A' ' 72' ' ' GLU . 96.0 t -135.67 116.3 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.561 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.541 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 46.7 pttt -121.84 165.73 15.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.604 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.541 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 63.9 mt-30 -157.08 130.33 7.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.547 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.48 128.95 34.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.625 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 58.9 t -131.82 127.43 58.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.598 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -75.26 134.61 41.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.558 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.436 ' HB ' ' O ' ' A' ' 61' ' ' ARG . 14.1 mm -98.29 109.49 23.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.598 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.961 ' O ' HG22 ' A' ' 10' ' ' THR . 18.1 m -133.64 44.47 2.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.518 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.88 ' HB2' ' O ' ' A' ' 10' ' ' THR . 97.6 m-20 88.81 24.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.486 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.589 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 10.8 ptmt -122.76 12.92 9.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.568 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.471 ' O ' ' HG2' ' A' ' 19' ' ' PRO . 3.2 tp -76.78 -17.56 58.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.59 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 147.96 128.3 1.77 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 24.1 mmt -56.85 -46.84 81.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.792 0.33 . . . . 0.0 110.563 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.533 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 77.6 m80 -135.03 35.44 3.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.554 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 16' ' ' HIS . . . 72.07 2.84 4.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.541 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.496 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -41.0 -51.65 7.29 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.576 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 18' ' ' ARG . 54.1 Cg_exo -47.04 -49.29 12.89 Favored 'Trans proline' 0 C--N 1.304 -1.803 0 C-N-CA 122.82 2.346 . . . . 0.0 112.067 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.55 ' HB1' HD22 ' A' ' 52' ' ' LEU . . . -57.09 -52.09 66.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.442 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 63.4 mtt -61.81 -43.11 99.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.489 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -64.31 -37.43 87.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.458 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.583 HD21 ' CG2' ' A' ' 79' ' ' VAL . 2.1 mt -53.77 -43.91 69.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.475 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -55.59 -40.72 72.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.467 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -71.63 -35.44 70.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.519 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.412 HD22 ' CE1' ' A' ' 30' ' ' PHE . 77.0 mt -67.12 -42.13 85.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.499 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 31.2 mtp -56.66 -36.66 69.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.503 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -72.22 -34.91 68.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.515 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.92 -35.97 26.43 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.497 ' CD2' ' N ' ' A' ' 30' ' ' PHE . 6.2 m-30 -97.57 153.18 18.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.768 0.318 . . . . 0.0 110.576 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.573 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 97.0 m-20 -100.33 94.36 6.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.552 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.573 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 168.91 151.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.558 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -96.41 133.05 41.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.614 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.596 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 70.5 t -104.13 143.08 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.58 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tt -137.78 133.19 33.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.572 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.448 ' CD2' HG22 ' A' ' 65' ' ' VAL . 4.6 mt -118.94 148.77 42.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.594 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.503 ' HE ' ' HB2' ' A' ' 64' ' ' GLU . 21.7 ptt180 -157.95 142.24 16.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.574 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.448 HD21 HD23 ' A' ' 55' ' ' LEU . 81.0 m-20 -88.82 161.28 16.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.569 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -60.51 -28.58 68.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.524 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.729 ' OE2' ' NH2' ' A' ' 61' ' ' ARG . 94.9 mt-10 -62.19 -18.04 59.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.61 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.44 7.77 39.26 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.8 m -82.06 111.68 18.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 0.0 110.549 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -81.59 106.24 13.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.571 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.644 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -97.25 83.49 3.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.502 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.471 ' C ' ' H ' ' A' ' 47' ' ' ASN . 96.3 mt-10 -39.27 121.27 1.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.559 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' A' ' 34' ' ' VAL . . . -68.63 8.57 0.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.556 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.569 ' N ' ' OD1' ' A' ' 47' ' ' ASN . 0.2 OUTLIER -128.1 33.78 4.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.55 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.3 t -149.8 129.19 12.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.624 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.5 m -65.92 -32.26 57.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.569 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 87.4 mt -60.63 -38.6 78.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.585 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.644 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -67.89 -38.42 82.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.552 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.55 HD22 ' HB1' ' A' ' 20' ' ' ALA . 53.3 tp -58.58 -40.83 84.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.619 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.7 tp -60.04 -38.26 82.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.553 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 89.3 mtp -69.93 -35.84 74.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.636 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.485 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 97.7 mt -64.75 -27.07 68.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.604 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -53.8 -36.74 62.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.558 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 96.6 p -77.55 1.67 18.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.538 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -82.75 23.56 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.56 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -71.57 97.01 1.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.519 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 103.71 5.65 44.66 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.729 ' NH2' ' OE2' ' A' ' 40' ' ' GLU . 7.3 mtp180 -108.38 160.13 16.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.793 0.33 . . . . 0.0 110.564 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -94.21 145.39 24.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.537 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 25.3 pt -133.2 163.12 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.557 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.503 ' HB2' ' HE ' ' A' ' 37' ' ' ARG . 10.5 mt-10 -121.49 106.93 11.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.539 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.448 HG22 ' CD2' ' A' ' 36' ' ' LEU . 4.7 t -86.34 125.2 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.523 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 72.9 tt0 -126.56 143.13 51.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.575 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.586 ' HB2' HD13 ' A' ' 76' ' ' LEU . . . -143.7 145.85 32.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.554 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.81 ' OG1' HG22 ' A' ' 2' ' ' THR . 29.8 m -135.29 131.34 36.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.557 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.472 ' N ' ' HB3' ' A' ' 72' ' ' GLU . . . 141.08 165.73 10.44 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -47.71 -43.19 29.19 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.812 2.341 . . . . 0.0 112.189 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -106.03 29.02 7.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.522 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.656 ' OE1' HG23 ' A' ' 3' ' ' VAL . 12.4 pt-20 -57.96 -37.89 75.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.505 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.458 ' HG3' ' H ' ' A' ' 74' ' ' GLU . 2.9 pt-20 -64.76 -46.22 83.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.54 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.458 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 74.2 tt0 -53.39 -51.98 60.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.681 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.49 -47.56 57.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.577 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.586 HD13 ' HB2' ' A' ' 67' ' ' ALA . 2.0 mp -65.87 -41.17 91.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.548 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.66 -43.36 93.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.593 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.19 -43.74 97.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.481 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.583 ' CG2' HD21 ' A' ' 23' ' ' LEU . 86.5 t -70.15 -46.55 71.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.494 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 42.5 mt -63.44 -39.45 85.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.473 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 85' ' ' SER . . . -62.5 -32.59 73.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.509 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.55 -47.54 75.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.526 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.622 ' CD2' ' N ' ' A' ' 83' ' ' PHE . 2.5 m-30 -75.05 -25.0 58.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.497 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -97.28 -2.73 42.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.554 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 81' ' ' ALA . 70.4 m . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.617 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ttt . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.818 HG22 ' OG1' ' A' ' 68' ' ' THR . 72.8 p -81.15 157.66 25.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.59 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 86.8 t -135.38 119.49 25.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.578 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 46.4 pttt -124.88 172.38 9.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.573 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.57 ' HB2' HD21 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -164.86 130.14 2.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.58 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.33 130.0 35.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.623 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.9 p -138.6 133.28 42.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.559 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.0 mp0 -74.61 134.55 42.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.577 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.416 HD13 ' HA ' ' A' ' 9' ' ' ILE . 6.7 mm -86.62 121.25 37.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.506 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.793 HG23 ' O ' ' A' ' 10' ' ' THR . 11.3 t -136.52 105.94 6.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.604 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.662 ' HB3' ' O ' ' A' ' 10' ' ' THR . 45.0 t30 80.27 34.12 0.15 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.598 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.615 ' HB2' ' O ' ' A' ' 11' ' ' ASN . 58.1 mttp 79.63 -165.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.507 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.719 ' O ' ' HG2' ' A' ' 19' ' ' PRO . 11.1 mp -81.45 17.27 1.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.505 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 152.09 -146.06 14.36 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 23.2 mmt -65.53 -33.97 77.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.825 0.345 . . . . 0.0 110.588 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -156.91 -94.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.573 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -135.87 2.72 2.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.643 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.535 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 24.8 mtp85 -51.56 -48.99 85.22 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.584 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.719 ' HG2' ' O ' ' A' ' 13' ' ' LEU . 50.4 Cg_exo -48.37 -50.1 12.92 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.816 2.344 . . . . 0.0 112.145 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.412 ' HB1' HD22 ' A' ' 52' ' ' LEU . . . -65.01 -42.73 94.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.521 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 46.8 mtt -67.48 -45.95 74.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.582 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.9 tttt -60.74 -38.98 86.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.486 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.593 HD21 ' CG2' ' A' ' 79' ' ' VAL . 2.9 mt -48.75 -43.11 37.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.574 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -57.23 -40.18 77.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.589 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -70.39 -34.89 73.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.53 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.617 ' O ' ' N ' ' A' ' 30' ' ' PHE . 5.2 mp -66.98 -41.16 87.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.597 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.523 ' HG2' ' N ' ' A' ' 28' ' ' GLN . 1.9 ptt? -56.58 -34.7 67.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.526 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.523 ' N ' ' HG2' ' A' ' 27' ' ' MET . 58.2 tt0 -67.75 -41.67 82.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.647 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.15 -20.71 37.91 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.617 ' N ' ' O ' ' A' ' 26' ' ' LEU . 16.3 m-85 -99.38 126.07 45.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.751 0.31 . . . . 0.0 110.601 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.701 ' H ' ' NE2' ' A' ' 71' ' ' GLN . 84.5 m-20 -84.57 96.49 9.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.566 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.684 ' HB1' ' O ' ' A' ' 68' ' ' THR . . . 163.08 150.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.557 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -95.31 134.72 37.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.676 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 m -107.18 144.27 16.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.497 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.403 HD21 ' CD ' ' A' ' 37' ' ' ARG . 1.5 tt -145.13 130.64 18.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.621 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.695 HD23 HG22 ' A' ' 65' ' ' VAL . 6.6 mt -107.1 153.18 23.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.533 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 54.7 mtp180 -149.07 134.26 18.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.548 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.66 HD21 HD23 ' A' ' 55' ' ' LEU . 94.2 m-20 -93.6 157.6 16.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.572 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 65.8 t0 -51.57 -31.83 26.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.593 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.9 mp0 -68.16 -5.07 16.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.522 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.71 20.66 63.24 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.5 m -87.22 113.69 23.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.763 0.316 . . . . 0.0 110.559 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -73.81 105.38 5.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.557 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.628 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -99.21 76.65 2.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.526 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -41.8 121.64 1.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.553 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.63 -3.18 10.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.487 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -108.48 19.68 19.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.541 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.0 m -136.92 130.12 31.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.594 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.415 HG22 ' H ' ' A' ' 49' ' ' VAL . 3.0 m -67.22 -33.16 61.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.486 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 86.6 mt -60.77 -38.17 78.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.602 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.628 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -67.52 -41.2 84.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.549 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 52' ' ' LEU . 42.6 tp -55.83 -39.45 71.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.596 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.3 mt -64.08 -39.49 94.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.589 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 21.8 mmt -66.68 -36.63 82.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.518 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.66 HD23 HD21 ' A' ' 38' ' ' ASN . 97.4 mt -63.37 -35.86 81.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.523 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -50.84 -34.66 28.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.48 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 87.5 p -73.75 -9.2 58.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.488 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -84.18 30.48 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.557 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -71.02 99.77 1.87 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.548 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 102.21 1.51 51.13 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 83.2 mtt-85 -100.6 168.8 9.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.832 0.348 . . . . 0.0 110.568 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -99.26 143.0 30.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.594 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 30.3 pt -131.86 163.3 37.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.542 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -123.32 102.22 7.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.598 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.695 HG22 HD23 ' A' ' 36' ' ' LEU . 21.6 t -82.52 130.94 34.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.574 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -128.13 141.16 51.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.565 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.64 142.02 35.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.638 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.818 ' OG1' HG22 ' A' ' 2' ' ' THR . 31.1 m -129.41 141.57 51.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.578 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 129.94 -179.15 17.02 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.531 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 51.6 Cg_endo -73.01 -25.27 16.43 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.834 2.356 . . . . 0.0 112.176 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.701 ' NE2' ' H ' ' A' ' 31' ' ' ASP . 74.5 mt-30 -105.64 3.88 29.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.574 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.514 ' CG ' ' N ' ' A' ' 73' ' ' GLU . 14.2 pt-20 -46.41 -46.82 18.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.642 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.514 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 93.6 mt-10 -59.19 -47.57 84.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.596 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -64.94 -48.26 74.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.545 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.3 -46.31 83.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.605 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.57 HD21 ' HB2' ' A' ' 5' ' ' GLN . 58.3 tp -62.11 -42.41 99.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.611 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.64 -40.66 88.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.528 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.71 -45.49 89.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.558 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.593 ' CG2' HD21 ' A' ' 23' ' ' LEU . 99.4 t -66.82 -43.75 89.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.547 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 53.6 mt -65.52 -39.5 85.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.586 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.83 -34.96 78.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.586 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.9 mt -70.31 -40.83 74.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.649 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.605 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 5.4 m-30 -70.2 -30.52 67.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.546 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.626 ' O ' ' OD1' ' A' ' 84' ' ' ASN . 21.8 t-20 -76.42 -3.79 38.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.608 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.624 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 mmt . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.777 HG22 ' OG1' ' A' ' 68' ' ' THR . 58.8 p -80.37 157.0 26.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.539 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.4 t -136.32 119.96 23.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.58 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 48.5 pttt -124.24 175.39 7.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.602 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.551 ' HB2' HD21 ' A' ' 76' ' ' LEU . 2.1 tp60 -165.81 131.53 2.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.508 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.76 125.52 30.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.636 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 95.5 t -129.61 129.64 66.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.547 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.7 mp0 -72.45 138.19 46.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.584 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.517 HG21 ' O ' ' A' ' 58' ' ' ALA . 15.3 mm -90.74 109.23 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.602 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.655 ' O ' ' HB3' ' A' ' 11' ' ' ASN . 47.7 m -125.63 104.51 8.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.632 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.682 ' O ' ' CB ' ' A' ' 12' ' ' LYS . 52.2 t30 81.56 16.76 0.47 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.568 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.682 ' CB ' ' O ' ' A' ' 11' ' ' ASN . 0.9 OUTLIER 95.34 -170.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.594 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.72 ' O ' ' HG2' ' A' ' 19' ' ' PRO . 78.6 mt -70.92 19.38 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.518 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.546 ' H ' ' C ' ' A' ' 12' ' ' LYS . . . 116.25 -105.31 1.36 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 75.9 mmm -72.44 -162.14 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.808 0.337 . . . . 0.0 110.572 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.607 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 75.2 m80 -55.2 -34.87 64.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.512 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.607 ' HB2' ' O ' ' A' ' 16' ' ' HIS . . . 166.47 9.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.601 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.559 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 8.8 mpt_? -52.12 -48.03 90.01 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.509 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.72 ' HG2' ' O ' ' A' ' 13' ' ' LEU . 51.4 Cg_exo -49.53 -55.65 3.92 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.748 2.299 . . . . 0.0 112.094 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.576 ' HB2' HD12 ' A' ' 13' ' ' LEU . . . -60.42 -43.51 96.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.535 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 52.0 mtt -66.34 -44.61 82.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.625 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -61.33 -38.16 85.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.512 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.562 HD21 ' CG2' ' A' ' 79' ' ' VAL . 2.4 mt -47.0 -46.07 21.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.551 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.426 ' CE1' ' O ' ' A' ' 46' ' ' ALA . 9.2 m-85 -56.01 -37.35 69.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.487 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -75.41 -35.56 60.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.552 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.457 HD22 ' CE1' ' A' ' 30' ' ' PHE . 93.9 mt -62.75 -43.98 97.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.506 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 78.5 mtp -57.51 -33.94 68.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.492 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -77.07 -43.94 32.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.557 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.12 -40.52 82.78 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.533 ' CD2' ' N ' ' A' ' 30' ' ' PHE . 4.0 m-30 -96.45 163.5 13.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.758 0.313 . . . . 0.0 110.548 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.516 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 84.8 m-20 -104.94 92.32 4.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.538 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.516 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 172.22 155.51 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.604 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 68' ' ' THR . 85.2 tt0 -100.43 133.33 45.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.546 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 97.6 t -109.76 138.58 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.507 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 tt -136.81 134.29 36.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.659 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.573 ' CD2' HG13 ' A' ' 65' ' ' VAL . 32.4 mt -109.1 150.37 27.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.593 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -151.62 137.44 18.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.637 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.775 HD21 HD23 ' A' ' 55' ' ' LEU . 75.7 m-20 -91.27 154.77 19.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.543 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 56.1 t0 -55.47 -26.75 44.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.627 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.464 ' HG3' HH11 ' A' ' 61' ' ' ARG . 95.6 mt-10 -66.46 -18.53 65.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.549 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.29 8.51 38.24 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 77.9 m -83.67 114.14 21.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.79 0.329 . . . . 0.0 110.512 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -82.87 105.38 13.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.593 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.686 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -95.51 70.55 3.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.506 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.638 ' HB3' HD22 ' A' ' 47' ' ' ASN . 91.7 mt-10 -38.27 120.95 0.94 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.528 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.426 ' O ' ' CE1' ' A' ' 24' ' ' PHE . . . -62.4 0.12 0.5 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.569 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.638 HD22 ' HB3' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -110.23 25.54 11.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.575 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.35 123.86 14.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.47 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.431 ' H ' HG22 ' A' ' 49' ' ' VAL . 2.0 m -64.81 -36.67 78.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.591 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 81.4 mt -62.49 -35.92 72.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.529 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.686 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -65.37 -42.99 92.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.578 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 49.5 tp -60.51 -40.19 90.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.582 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.6 HD23 ' OD2' ' A' ' 56' ' ' ASP . 1.0 OUTLIER -63.66 -30.66 71.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.576 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 47.0 tpp -72.81 -36.02 67.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.544 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.775 HD23 HD21 ' A' ' 38' ' ' ASN . 96.0 mt -64.89 -18.46 65.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.585 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.6 ' OD2' HD23 ' A' ' 53' ' ' LEU . 98.2 m-20 -54.63 -37.73 66.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.621 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 71.8 m -78.95 0.38 27.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.594 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.517 ' O ' HG21 ' A' ' 9' ' ' ILE . . . -85.0 30.04 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.628 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.9 pttp -75.35 96.92 3.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.539 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 106.23 7.27 35.44 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.464 HH11 ' HG3' ' A' ' 40' ' ' GLU . 62.7 mtp85 -107.93 159.71 16.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 110.515 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -93.85 143.34 26.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.601 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 42.7 pt -129.8 163.39 35.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.56 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -122.15 100.55 7.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.556 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.573 HG13 ' CD2' ' A' ' 36' ' ' LEU . 21.8 t -83.17 128.04 39.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.535 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -123.64 139.52 53.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.585 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -135.88 133.02 37.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.572 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.777 ' OG1' HG22 ' A' ' 2' ' ' THR . 25.9 m -127.42 132.2 50.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.593 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.424 ' N ' ' HB3' ' A' ' 72' ' ' GLU . . . 140.31 166.05 10.52 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -47.38 -42.51 27.96 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.781 2.321 . . . . 0.0 112.154 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -101.93 22.31 13.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.568 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.426 ' CG ' ' N ' ' A' ' 73' ' ' GLU . 22.4 pt-20 -49.79 -41.34 44.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.518 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.426 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 93.1 mt-10 -64.08 -46.4 84.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.621 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -56.83 -49.39 75.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.569 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.569 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -56.56 -46.51 80.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.542 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.551 HD21 ' HB2' ' A' ' 5' ' ' GLN . 43.7 tp -64.59 -44.11 91.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.494 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.7 -42.66 97.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.505 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.16 -43.66 98.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.57 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 75' ' ' ALA . 57.9 t -67.05 -43.74 88.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.584 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 43.0 mt -64.37 -40.61 89.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.555 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.21 -34.59 76.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.536 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -72.5 -41.0 66.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.486 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.586 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 5.8 m-30 -70.55 -32.12 69.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.591 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.511 ' O ' ' C ' ' A' ' 85' ' ' SER . 61.9 t30 -93.84 -5.07 48.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.58 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.511 ' C ' ' O ' ' A' ' 84' ' ' ASN . 12.8 t . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.068 -0.968 . . . . 0.0 110.547 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.4 mmm . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.786 HG22 ' OG1' ' A' ' 68' ' ' THR . 70.4 p -132.49 155.26 48.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.535 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.776 ' O ' HD11 ' A' ' 76' ' ' LEU . 83.7 t -134.89 120.2 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.516 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.527 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 11.3 pttm -119.29 164.9 14.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.632 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.527 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 55.6 mt-30 -156.56 129.16 7.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.533 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.77 126.15 30.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.512 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 92.3 t -130.28 131.62 65.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.588 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -77.09 133.02 39.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.441 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.704 HG21 ' O ' ' A' ' 58' ' ' ALA . 4.3 mm -84.11 116.71 28.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.624 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.768 HG23 ' O ' ' A' ' 10' ' ' THR . 8.7 t -135.54 108.21 7.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.49 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.817 ' O ' ' OD1' ' A' ' 11' ' ' ASN . 37.5 t-20 83.18 18.53 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.428 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.716 ' HB2' ' O ' ' A' ' 11' ' ' ASN . 6.8 tttp 96.21 -176.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.434 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.2 mt -56.58 -3.32 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.571 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.509 ' H ' ' C ' ' A' ' 12' ' ' LYS . . . 142.73 -137.31 7.66 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 76.5 mtm -75.87 119.84 20.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.788 0.328 . . . . 0.0 110.526 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 47.11 -100.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.511 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -151.52 9.82 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.535 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.569 ' NH1' ' SD ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -56.94 -49.45 93.84 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.635 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 18' ' ' ARG . 58.5 Cg_exo -46.64 -57.75 2.09 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.743 2.295 . . . . 0.0 112.078 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.47 ' HB1' ' CD2' ' A' ' 52' ' ' LEU . . . -59.48 -47.46 85.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.527 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.569 ' SD ' ' NH1' ' A' ' 18' ' ' ARG . 65.2 mtt -65.23 -41.44 94.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.483 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.4 mttm -62.95 -37.34 86.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.499 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.495 HD21 ' CG2' ' A' ' 79' ' ' VAL . 1.6 mt -48.71 -45.79 39.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.433 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.434 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 16.6 m-85 -55.85 -42.42 75.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.44 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -70.91 -38.11 72.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.419 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' A' ' 30' ' ' PHE . 93.5 mt -63.35 -42.91 98.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.407 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 77.1 mtp -56.92 -36.66 70.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.517 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -63.7 -42.08 98.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.476 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -89.09 -20.54 45.67 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.553 ' N ' ' O ' ' A' ' 26' ' ' LEU . 9.5 m-85 -99.57 125.93 45.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.773 0.32 . . . . 0.0 110.576 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.655 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 83.7 m-20 -81.17 95.51 6.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.488 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.655 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 163.48 153.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.59 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.401 ' O ' ' HA ' ' A' ' 67' ' ' ALA . 86.9 tt0 -99.09 125.86 44.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.549 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 73.1 t -103.84 137.2 33.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.519 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.0 tt -137.66 136.71 37.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.582 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.646 HD23 HG22 ' A' ' 65' ' ' VAL . 8.2 mt -107.7 148.41 29.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.604 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.0 ttp85 -147.52 134.84 20.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.527 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.719 HD21 HD23 ' A' ' 55' ' ' LEU . 98.3 m-20 -89.66 156.9 18.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.602 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -54.37 -26.68 31.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.522 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -67.52 -9.93 46.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.616 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.65 14.24 58.52 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.8 m -86.29 117.52 25.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.786 0.327 . . . . 0.0 110.563 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -79.88 105.92 11.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.541 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.552 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -97.09 75.79 2.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.587 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -40.31 120.95 1.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.55 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.434 ' O ' ' CZ ' ' A' ' 24' ' ' PHE . . . -65.91 -14.42 61.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.562 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.504 ' O ' ' OD1' ' A' ' 47' ' ' ASN . 28.0 t-20 -99.17 30.34 3.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.557 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.0 t -146.1 126.1 13.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.555 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.4 ' H ' HG22 ' A' ' 49' ' ' VAL . 4.8 m -66.4 -31.91 55.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.542 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 86.0 mt -60.97 -39.48 82.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.519 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.552 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -68.09 -42.24 80.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.579 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.47 ' CD2' ' HB1' ' A' ' 20' ' ' ALA . 4.6 mp -56.58 -39.62 73.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.594 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.429 HD23 ' OD2' ' A' ' 56' ' ' ASP . 1.8 mt -68.18 -31.84 71.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.569 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 14.6 tpt -72.26 -34.8 68.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.53 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.719 HD23 HD21 ' A' ' 38' ' ' ASN . 97.5 mt -65.78 -23.21 66.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.591 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.429 ' OD2' HD23 ' A' ' 53' ' ' LEU . 99.0 m-20 -52.99 -35.75 59.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.539 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 92.8 p -74.94 -9.62 58.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.516 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.704 ' O ' HG21 ' A' ' 9' ' ' ILE . . . -80.68 30.92 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.533 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.403 ' HG2' ' H ' ' A' ' 59' ' ' LYS . 2.9 ptmm? -73.78 97.49 2.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.559 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 103.29 4.87 46.89 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.45 ' O ' ' HB ' ' A' ' 9' ' ' ILE . 83.4 mtt-85 -102.11 167.12 10.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.758 0.313 . . . . 0.0 110.525 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -99.05 143.52 29.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.511 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.408 HG22 ' OD1' ' A' ' 38' ' ' ASN . 17.8 pt -132.77 160.52 42.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.637 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -121.41 100.69 7.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.549 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.646 HG22 HD23 ' A' ' 36' ' ' LEU . 17.2 t -78.7 128.97 38.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.498 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 73.4 tt0 -123.5 136.72 54.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.643 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.401 ' HA ' ' O ' ' A' ' 33' ' ' GLU . . . -136.56 137.2 39.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.498 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.786 ' OG1' HG22 ' A' ' 2' ' ' THR . 89.5 m -124.98 138.27 54.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.612 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 132.4 -177.92 18.41 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.48 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 44.6 Cg_endo -71.77 -26.82 18.77 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.806 2.337 . . . . 0.0 112.14 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.572 ' OE1' ' N ' ' A' ' 31' ' ' ASP . 51.0 mt-30 -104.76 9.43 34.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.503 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.496 ' CG ' ' N ' ' A' ' 73' ' ' GLU . 20.7 pt-20 -48.82 -48.97 41.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.569 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.496 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 2.8 pt-20 -62.0 -39.59 92.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.479 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -67.67 -49.53 62.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.564 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.521 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -53.78 -44.44 70.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.582 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.776 HD11 ' O ' ' A' ' 3' ' ' VAL . 76.9 mt -63.05 -41.54 99.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.494 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.79 -44.25 90.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.49 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.23 -42.95 96.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.45 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 75' ' ' ALA . 61.9 t -68.49 -45.98 81.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.472 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 57.6 mt -63.02 -41.57 93.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.469 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.31 -35.95 82.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.428 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 19.5 mt -72.63 -38.36 67.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.426 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -68.01 -32.6 73.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.519 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -72.01 -12.01 61.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.517 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 67.6 m . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.634 -179.985 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.416 ' C ' ' OG1' ' A' ' 2' ' ' THR . 7.7 tpt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.416 ' OG1' ' C ' ' A' ' 1' ' ' MET . 0.1 OUTLIER 63.21 117.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.551 179.898 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.1 t -131.95 119.3 40.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.509 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.1 166.28 16.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.639 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.406 ' OE1' ' CD1' ' A' ' 80' ' ' ILE . 53.7 tt0 -169.77 135.44 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.551 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.8 135.05 36.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.566 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 86.7 t -135.03 127.38 48.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.675 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -71.2 131.57 43.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.49 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.801 HG21 ' O ' ' A' ' 58' ' ' ALA . 4.9 mm -85.62 118.51 32.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.71 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.699 HG22 ' OD1' ' A' ' 11' ' ' ASN . 52.5 m -133.07 103.55 6.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.459 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.699 ' OD1' HG22 ' A' ' 10' ' ' THR . 35.5 m120 80.27 35.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.481 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.62 ' HB2' ' O ' ' A' ' 11' ' ' ASN . 52.9 mttp 81.01 -168.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.497 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.907 ' O ' ' HG2' ' A' ' 19' ' ' PRO . 8.6 mp -77.15 21.11 0.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.554 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.439 ' H ' ' C ' ' A' ' 12' ' ' LYS . . . 131.77 -140.29 11.67 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 28.0 ttt -96.59 119.4 35.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.755 0.312 . . . . 0.0 110.597 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.537 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 68.8 m80 55.41 15.54 1.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.554 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' A' ' 16' ' ' HIS . . . 70.76 13.79 7.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.574 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.528 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 1.1 mtt85 -42.25 -49.65 11.79 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.513 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.907 ' HG2' ' O ' ' A' ' 13' ' ' LEU . 53.1 Cg_exo -47.51 -45.14 23.86 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.847 2.365 . . . . 0.0 112.064 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.461 ' HB1' HD22 ' A' ' 52' ' ' LEU . . . -60.6 -51.13 70.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.494 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 20.1 mmt -62.16 -40.87 97.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.41 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -66.42 -37.26 84.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.503 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.491 HD21 ' CG2' ' A' ' 79' ' ' VAL . 2.1 mt -49.1 -45.63 43.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.459 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.511 ' CE1' ' O ' ' A' ' 46' ' ' ALA . 8.8 m-85 -57.58 -42.61 83.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.38 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -71.54 -38.5 71.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.376 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.508 ' O ' ' N ' ' A' ' 30' ' ' PHE . 78.5 mt -64.4 -40.9 96.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.461 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 14.7 mtm -56.45 -36.97 69.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.531 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -61.02 -41.76 97.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.511 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.98 -18.8 45.54 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.508 ' N ' ' O ' ' A' ' 26' ' ' LEU . 9.5 m-85 -99.69 119.99 38.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.795 0.331 . . . . 0.0 110.514 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.679 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 66.7 t0 -78.47 98.94 6.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.578 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.679 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 161.63 152.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.561 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 68' ' ' THR . 86.6 tt0 -98.23 132.8 43.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.574 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.415 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 52.2 t -105.7 139.49 26.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.557 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.455 HD21 ' CD ' ' A' ' 37' ' ' ARG . 1.3 tt -137.74 126.68 24.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.504 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.55 HD11 HG13 ' A' ' 65' ' ' VAL . 8.0 mp -106.91 153.53 22.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.665 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.455 ' CD ' HD21 ' A' ' 35' ' ' LEU . 83.7 mtm180 -147.34 132.13 17.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.501 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -86.42 156.24 20.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.601 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -53.59 -36.75 62.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.543 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -65.22 -6.29 9.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.513 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.85 18.44 56.26 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 21.2 m -83.33 110.52 18.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.341 . . . . 0.0 110.562 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -70.68 105.2 3.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.547 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.628 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -100.91 72.16 1.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.576 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 55.1 mp0 -39.35 120.43 1.04 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.587 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.511 ' O ' ' CE1' ' A' ' 24' ' ' PHE . . . -58.05 -15.54 9.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.52 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.457 ' O ' ' OD1' ' A' ' 47' ' ' ASN . 29.0 t-20 -104.84 46.22 0.93 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.58 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.2 t -157.04 121.08 4.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.586 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.1 m -64.8 -33.81 65.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.556 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 86.4 mt -62.4 -37.1 77.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.451 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.628 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -66.48 -42.57 87.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.585 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.461 HD22 ' HB1' ' A' ' 20' ' ' ALA . 45.9 tp -57.93 -39.71 78.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.569 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.78 -35.61 81.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.588 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -37.96 80.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.552 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.486 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 96.0 mt -64.33 -21.91 66.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.602 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -50.72 -37.38 41.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.533 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.425 ' C ' ' H ' ' A' ' 59' ' ' LYS . 88.7 p -76.45 -6.53 52.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.584 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.801 ' O ' HG21 ' A' ' 9' ' ' ILE . . . -78.29 30.73 0.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.596 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.425 ' H ' ' C ' ' A' ' 57' ' ' SER . 65.8 tttm -74.36 96.05 2.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.54 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 102.51 4.62 49.48 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.426 ' O ' ' HB ' ' A' ' 9' ' ' ILE . 84.2 mtt-85 -100.37 169.2 9.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.811 0.339 . . . . 0.0 110.574 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -101.2 143.48 31.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.509 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 15.7 pt -132.75 158.65 43.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.638 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -117.52 103.99 10.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.541 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.55 HG13 HD11 ' A' ' 36' ' ' LEU . 17.2 t -85.86 126.73 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.553 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -124.42 140.09 53.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.599 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.43 ' O ' ' HB2' ' A' ' 72' ' ' GLU . . . -136.83 134.04 36.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.586 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 33' ' ' GLU . 37.3 m -127.03 130.06 49.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.597 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.475 ' N ' ' HB3' ' A' ' 72' ' ' GLU . . . 138.92 168.34 11.22 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -48.1 -41.35 33.87 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.864 2.376 . . . . 0.0 112.129 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -100.73 21.23 13.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.582 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.475 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 23.6 pt-20 -53.06 -45.88 68.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.491 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.446 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 22.9 pt-20 -68.32 -36.78 79.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.613 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -64.75 -51.72 60.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.577 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.572 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -54.95 -43.99 73.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.54 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.3 tp -62.18 -44.99 95.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.534 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.83 -43.23 94.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.538 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.8 -44.43 96.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.524 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 75' ' ' ALA . 58.7 t -66.81 -44.79 88.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.467 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.406 ' CD1' ' OE1' ' A' ' 5' ' ' GLN . 56.5 mt -63.13 -41.8 94.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.491 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.83 -35.65 80.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.445 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.5 mt -73.0 -41.14 64.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.407 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -67.14 -30.12 70.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.484 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.56 ' O ' ' OD1' ' A' ' 84' ' ' ASN . 22.0 t-20 -82.79 -0.77 49.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.507 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 0.7 OUTLIER . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.577 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.7 mtm . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.778 HG22 ' OG1' ' A' ' 68' ' ' THR . 69.5 p -87.66 160.63 18.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.508 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.664 HG22 ' O ' ' A' ' 67' ' ' ALA . 3.2 m -125.57 120.59 58.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.559 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -119.44 143.86 47.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.627 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.417 ' NE2' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -146.06 132.68 19.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.54 179.917 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.417 ' O ' ' NE2' ' A' ' 5' ' ' GLN . 0.1 OUTLIER -86.16 127.96 34.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.652 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 85.3 t -128.81 130.36 68.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.508 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.427 ' OE1' ' N ' ' A' ' 8' ' ' GLU . 41.6 mp0 -79.72 127.95 32.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.613 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.716 HG21 ' O ' ' A' ' 58' ' ' ALA . 5.3 mm -79.42 111.18 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.545 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.639 ' O ' ' HB3' ' A' ' 11' ' ' ASN . 71.6 m -129.05 108.9 10.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.577 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.795 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 58.5 t30 83.0 13.87 0.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.564 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.863 ' O ' ' N ' ' A' ' 14' ' ' GLY . 15.4 tttm 99.6 168.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.569 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 12' ' ' LYS . 72.1 mt -37.33 -9.29 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.546 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.863 ' N ' ' O ' ' A' ' 12' ' ' LYS . . . 157.57 -161.41 31.32 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 62.3 mtt -59.29 -38.19 79.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.833 0.349 . . . . 0.0 110.589 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.806 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 69.6 t60 -145.98 179.19 7.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.538 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.606 ' H ' ' CG ' ' A' ' 16' ' ' HIS . . . -78.2 2.31 18.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.588 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.577 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 16.2 mtt-85 -56.54 -47.02 99.73 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.544 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.806 ' HD2' ' O ' ' A' ' 16' ' ' HIS . 50.6 Cg_exo -48.55 -56.6 2.99 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 122.816 2.344 . . . . 0.0 112.059 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.445 ' HB1' HD21 ' A' ' 52' ' ' LEU . . . -61.92 -39.92 93.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.473 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 13.1 mmt -68.58 -44.67 73.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.515 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.456 ' HE2' HD21 ' A' ' 26' ' ' LEU . 85.3 tttt -62.74 -37.16 85.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.579 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.457 HD22 HG21 ' A' ' 34' ' ' VAL . 2.3 mt -44.6 -45.96 9.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.562 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.615 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 6.3 m-85 -53.04 -36.91 61.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.501 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -79.22 -33.32 43.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.446 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.587 HD22 ' CE1' ' A' ' 30' ' ' PHE . 72.6 mt -60.29 -49.87 75.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.506 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.557 ' HG3' ' N ' ' A' ' 28' ' ' GLN . 1.8 ppp? -53.15 -28.47 26.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.541 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.557 ' N ' ' HG3' ' A' ' 27' ' ' MET . 8.5 tp-100 -82.62 -43.61 16.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.508 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.72 -34.68 62.59 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.587 ' CE1' HD22 ' A' ' 26' ' ' LEU . 6.4 m-85 -103.57 146.81 27.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.771 0.32 . . . . 0.0 110.629 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.572 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 74.1 m-20 -91.0 94.96 9.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.499 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.572 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 168.89 157.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.615 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -101.79 130.38 48.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.588 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.457 HG21 HD22 ' A' ' 23' ' ' LEU . 22.8 m -108.58 145.63 15.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.543 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.3 tt -146.34 140.38 26.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.601 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.401 ' HB2' ' HB3' ' A' ' 44' ' ' ALA . 1.8 mp -109.72 147.81 32.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.531 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.522 HH11 ' CG ' ' A' ' 43' ' ' GLU . 19.7 ttm180 -146.93 134.27 20.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.559 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.686 HD21 HD23 ' A' ' 55' ' ' LEU . 87.6 m-20 -94.97 161.04 14.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.569 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -52.52 -34.06 48.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.536 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.499 ' OE2' ' CZ ' ' A' ' 61' ' ' ARG . 98.3 mt-10 -65.1 -9.81 25.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.54 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.64 7.5 66.66 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.4 m -77.15 112.08 13.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.816 0.341 . . . . 0.0 110.576 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.522 ' CG ' HH11 ' A' ' 37' ' ' ARG . 99.8 mt-10 -76.75 100.22 5.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.635 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.691 ' HA ' ' HB1' ' A' ' 51' ' ' ALA . . . -84.41 57.56 4.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.569 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.475 ' HB3' HD22 ' A' ' 47' ' ' ASN . 13.0 mp0 -41.08 120.54 1.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.571 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.615 ' O ' ' CZ ' ' A' ' 24' ' ' PHE . . . -58.46 -30.18 66.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.56 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.475 HD22 ' HB3' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -74.99 22.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.558 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.482 ' H ' ' C ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -142.95 121.16 12.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.518 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.6 m -64.94 -36.48 77.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.56 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 81.6 mt -61.87 -35.42 67.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.674 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.691 ' HB1' ' HA ' ' A' ' 44' ' ' ALA . . . -65.64 -43.96 87.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.607 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.445 HD21 ' HB1' ' A' ' 20' ' ' ALA . 2.9 mp -58.49 -35.41 72.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.599 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.43 HD13 ' OD2' ' A' ' 56' ' ' ASP . 0.9 OUTLIER -68.1 -33.78 75.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.589 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 22.0 mmt -69.08 -35.7 76.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.572 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.686 HD23 HD21 ' A' ' 38' ' ' ASN . 95.3 mt -62.72 -25.4 68.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.603 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.43 ' OD2' HD13 ' A' ' 53' ' ' LEU . 94.6 m-20 -53.32 -35.12 59.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.616 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.1 m -82.5 1.83 35.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.561 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.716 ' O ' HG21 ' A' ' 9' ' ' ILE . . . -84.88 28.39 0.69 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.653 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -75.52 96.35 3.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.531 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 106.84 4.84 36.25 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.499 ' CZ ' ' OE2' ' A' ' 40' ' ' GLU . 95.1 mtt180 -107.34 162.73 13.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.818 0.342 . . . . 0.0 110.597 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -99.64 148.02 24.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.569 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.517 HG22 ' OD1' ' A' ' 38' ' ' ASN . 15.1 pt -134.71 160.18 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.565 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -119.53 102.56 8.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.541 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 25.4 t -81.92 122.46 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.574 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 53.7 tt0 -115.69 135.37 54.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.531 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.664 ' O ' HG22 ' A' ' 3' ' ' VAL . . . -135.53 131.53 36.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.569 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.778 ' OG1' HG22 ' A' ' 2' ' ' THR . 37.3 m -124.62 130.32 52.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.569 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.533 ' N ' ' HB3' ' A' ' 72' ' ' GLU . . . 141.27 163.8 9.7 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -47.36 -48.44 15.16 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.809 2.339 . . . . 0.0 112.183 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 74' ' ' GLU . 77.3 mt-30 -92.94 7.86 42.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.563 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.533 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 25.4 pt-20 -39.35 -35.89 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.566 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -66.17 -46.51 77.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.587 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 71' ' ' GLN . 74.5 tt0 -55.54 -51.88 65.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.563 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.616 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -53.85 -48.39 70.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.549 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.4 mt -64.72 -44.73 89.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.493 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.47 -42.43 99.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.584 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.49 -44.82 93.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.487 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 75' ' ' ALA . 82.2 t -66.89 -43.62 89.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.531 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 55.5 mt -64.04 -42.13 94.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.576 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.58 -35.1 78.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.522 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -73.53 -39.43 64.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.459 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.404 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 3.1 m-85 -69.08 -32.74 72.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.535 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.48 ' O ' ' CB ' ' A' ' 85' ' ' SER . 8.4 m120 -96.24 -6.76 37.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.621 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 2.9 m . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.62 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.2 ptp . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.491 HG23 ' OG1' ' A' ' 68' ' ' THR . 0.2 OUTLIER 62.63 120.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.567 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.3 t -131.26 120.54 46.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.541 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 1.3 pttm -126.0 167.02 15.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.6 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.412 ' NE2' HD11 ' A' ' 80' ' ' ILE . 3.8 tt0 -168.76 135.34 1.84 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.525 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.07 134.11 35.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.598 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 71.7 t -136.3 126.81 41.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.574 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -71.83 130.66 41.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.664 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.664 HG21 ' O ' ' A' ' 58' ' ' ALA . 6.3 mm -81.78 114.55 22.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.561 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.817 HG23 ' O ' ' A' ' 10' ' ' THR . 14.6 t -124.54 99.97 6.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.554 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.734 ' HB3' ' O ' ' A' ' 10' ' ' THR . 43.8 t30 84.89 29.77 0.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.525 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.681 ' HB2' ' O ' ' A' ' 11' ' ' ASN . 57.1 mttp 81.65 -162.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.512 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.682 ' O ' ' HG2' ' A' ' 19' ' ' PRO . 18.8 mt -68.47 2.87 2.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.524 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.404 ' H ' ' C ' ' A' ' 12' ' ' LYS . . . 145.92 -130.57 3.79 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 94.6 mmm -65.35 -34.58 78.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.831 0.348 . . . . 0.0 110.572 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.63 ' CG ' ' N ' ' A' ' 17' ' ' ALA . 59.9 t60 -163.73 -95.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.562 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.63 ' N ' ' CG ' ' A' ' 16' ' ' HIS . . . -134.71 3.35 3.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.655 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.512 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 6.8 mtp180 -47.53 -50.99 47.43 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.517 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.682 ' HG2' ' O ' ' A' ' 13' ' ' LEU . 53.5 Cg_exo -47.14 -50.94 10.2 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.768 2.312 . . . . 0.0 112.077 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.447 ' HB2' HD13 ' A' ' 13' ' ' LEU . . . -61.11 -46.29 91.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.481 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 68.2 mtp -63.25 -45.73 90.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.499 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -64.39 -39.14 93.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.442 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.459 HD21 ' CG2' ' A' ' 79' ' ' VAL . 1.7 mt -49.04 -45.3 42.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.525 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.53 ' CE1' ' O ' ' A' ' 46' ' ' ALA . 3.8 m-85 -55.58 -38.21 69.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.459 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -73.5 -35.41 65.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.451 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.661 HD22 ' CE1' ' A' ' 30' ' ' PHE . 66.1 mt -62.43 -44.21 96.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.47 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 48.2 mmm -56.06 -32.16 63.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.492 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -80.56 -43.21 21.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.534 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.78 -40.04 75.96 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.661 ' CE1' HD22 ' A' ' 26' ' ' LEU . 5.7 m-30 -98.82 158.6 15.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.791 0.329 . . . . 0.0 110.479 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.475 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 11.8 m-20 -103.17 92.95 4.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.527 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 174.49 154.36 0.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.552 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -99.54 127.38 45.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.601 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 81.8 t -106.67 138.32 32.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.583 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.7 tt -137.53 132.39 33.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.558 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.578 HD22 HG22 ' A' ' 65' ' ' VAL . 21.5 mt -107.18 150.58 26.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.555 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.8 ttp180 -150.87 135.94 17.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.617 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.544 HD21 HD23 ' A' ' 55' ' ' LEU . 93.2 m-20 -89.09 154.46 20.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.599 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.406 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 39.9 p-10 -56.28 -22.93 33.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.576 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -69.72 -17.49 63.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.598 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 102.56 10.09 39.17 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.4 m -86.96 116.28 24.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.824 0.345 . . . . 0.0 110.519 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -79.43 105.65 10.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.55 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.667 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -93.66 64.75 3.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.557 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.527 ' HG2' ' H ' ' A' ' 47' ' ' ASN . 72.3 tt0 -39.24 120.94 1.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.562 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.53 ' O ' ' CE1' ' A' ' 24' ' ' PHE . . . -59.27 -7.68 1.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.538 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.527 ' H ' ' HG2' ' A' ' 45' ' ' GLU . 28.7 t-20 -108.0 42.7 1.31 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.577 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.63 124.44 5.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.571 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.444 HG23 ' N ' ' A' ' 50' ' ' ILE . 34.5 m -64.3 -38.95 83.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.559 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.444 ' N ' HG23 ' A' ' 49' ' ' VAL . 88.3 mt -61.05 -35.92 68.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.623 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.667 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -65.36 -41.66 93.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.631 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 44.1 tp -59.97 -39.55 86.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.564 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.5 mt -63.76 -36.33 83.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.591 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 59.4 mtt -67.21 -38.72 85.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.539 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.544 HD23 HD21 ' A' ' 38' ' ' ASN . 96.6 mt -61.78 -26.95 68.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.488 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -53.71 -38.12 63.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.548 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 44.6 t -76.9 1.67 16.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.578 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.664 ' O ' HG21 ' A' ' 9' ' ' ILE . . . -90.02 30.57 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.556 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -75.44 95.41 3.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.571 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.52 4.69 40.15 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -104.09 167.79 9.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.766 0.317 . . . . 0.0 110.581 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -99.88 142.15 31.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.626 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.1 pt -130.06 163.49 35.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.588 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -120.72 108.02 13.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.547 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.578 HG22 HD22 ' A' ' 36' ' ' LEU . 94.1 t -89.88 126.18 42.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.613 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -122.2 138.07 54.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.555 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.1 134.44 34.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.494 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.491 ' OG1' HG23 ' A' ' 2' ' ' THR . 29.8 m -131.05 132.37 44.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.491 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.484 ' N ' ' HB3' ' A' ' 72' ' ' GLU . . . 141.37 167.12 11.04 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -47.87 -43.96 28.28 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.84 2.36 . . . . 0.0 112.123 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -106.18 30.33 6.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.595 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.484 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 14.4 pt-20 -59.39 -38.08 79.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.565 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -64.06 -47.27 80.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.52 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -55.05 -51.04 67.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.519 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.63 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -53.04 -47.69 68.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.535 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.0 -44.74 95.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.514 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.85 -43.14 94.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.542 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.99 -43.3 99.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.531 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 75' ' ' ALA . 60.9 t -67.25 -44.69 87.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.477 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.412 HD11 ' NE2' ' A' ' 5' ' ' GLN . 45.2 mt -63.12 -40.72 90.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.47 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.96 -34.6 76.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.509 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -70.89 -40.66 72.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.527 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.533 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 7.6 m-30 -68.46 -31.63 71.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.548 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.745 ' O ' ' OG ' ' A' ' 85' ' ' SER . 84.2 m-20 -96.02 -7.05 37.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.592 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.745 ' OG ' ' O ' ' A' ' 84' ' ' ASN . 31.1 p . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.554 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.453 ' C ' ' OG1' ' A' ' 2' ' ' THR . 73.7 mtm . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.453 ' OG1' ' C ' ' A' ' 1' ' ' MET . 0.0 OUTLIER 62.71 120.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.489 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.551 ' O ' HG13 ' A' ' 3' ' ' VAL . 13.5 p -138.4 122.97 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.627 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 3.9 pttm -123.27 168.38 12.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.515 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.541 ' HB2' HD21 ' A' ' 76' ' ' LEU . 6.8 mt-30 -165.62 134.22 3.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.612 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.19 127.2 32.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.618 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.2 t -123.41 130.27 74.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.47 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -86.72 122.7 30.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.552 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 65.1 mt -81.73 114.78 23.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.576 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.914 ' O ' HG22 ' A' ' 10' ' ' THR . 6.4 m -84.23 60.4 5.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.5 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.7 m120 60.74 23.35 13.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.462 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.3 mttp -178.17 125.94 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.595 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.4 mt -65.32 -6.82 10.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.475 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 165.09 -138.29 5.17 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.541 ' O ' ' CB ' ' A' ' 16' ' ' HIS . 96.2 mmm -79.97 -36.17 36.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.814 0.34 . . . . 0.0 110.527 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.585 ' C ' ' H ' ' A' ' 18' ' ' ARG . 0.3 OUTLIER 158.76 83.71 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.57 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 55.74 -0.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.507 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.585 ' H ' ' C ' ' A' ' 16' ' ' HIS . 1.7 mmt180 -50.17 -55.68 23.17 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.578 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 18' ' ' ARG . 47.5 Cg_endo -72.29 -50.33 0.25 Allowed 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.784 2.323 . . . . 0.0 112.093 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.501 ' HB1' HD22 ' A' ' 52' ' ' LEU . . . -48.41 -53.12 18.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.477 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 44.8 mtm -63.54 -50.42 69.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.473 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -59.35 -33.17 70.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.497 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.651 HD21 ' CG2' ' A' ' 79' ' ' VAL . 2.7 mt -48.82 -51.54 28.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.465 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -51.9 -41.82 62.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.416 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -75.76 -35.25 60.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.462 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.604 HD11 ' CZ ' ' A' ' 30' ' ' PHE . 34.2 tp -63.83 -42.81 97.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.506 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.452 ' O ' ' O ' ' A' ' 30' ' ' PHE . 84.6 mtp -58.09 -32.65 68.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.527 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -66.19 -42.93 88.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.486 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.57 -32.31 34.29 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.604 ' CZ ' HD11 ' A' ' 26' ' ' LEU . 7.4 m-30 -93.61 133.04 37.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.752 0.311 . . . . 0.0 110.517 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.749 ' O ' ' HD2' ' A' ' 70' ' ' PRO . 84.9 m-20 -85.04 91.17 8.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.58 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.676 ' HB1' ' O ' ' A' ' 68' ' ' THR . . . 170.77 156.35 0.07 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.547 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -102.93 131.99 49.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.512 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 90.9 t -107.46 137.0 40.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.546 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.0 tt -134.57 131.98 38.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.532 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.547 HD23 HG22 ' A' ' 65' ' ' VAL . 7.2 mt -106.41 148.84 27.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.636 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.617 HH11 ' CG ' ' A' ' 43' ' ' GLU . 19.8 ttm180 -147.35 134.25 20.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.497 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.647 HD21 HD23 ' A' ' 55' ' ' LEU . 93.4 m-20 -91.36 157.89 16.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.639 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 59.5 t0 -53.48 -28.76 32.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.611 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -67.83 -11.73 59.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.582 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.69 14.91 57.59 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.4 m -84.03 114.56 21.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.778 0.323 . . . . 0.0 110.496 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.617 ' CG ' HH11 ' A' ' 37' ' ' ARG . 98.6 mt-10 -74.55 104.92 5.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.577 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.646 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -96.06 68.28 2.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.532 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.648 ' HB3' HD22 ' A' ' 47' ' ' ASN . 93.9 mt-10 -40.36 120.86 1.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.623 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.48 13.19 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.547 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.648 HD22 ' HB3' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -117.62 19.07 14.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.625 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.2 t -143.8 129.93 19.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.597 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.432 HG22 ' H ' ' A' ' 49' ' ' VAL . 12.0 m -64.23 -31.36 53.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.597 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 83.7 mt -61.81 -39.61 84.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.637 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.646 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -66.71 -41.33 88.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.568 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.501 HD22 ' HB1' ' A' ' 20' ' ' ALA . 79.8 mt -58.76 -36.85 75.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.605 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -67.37 -36.15 80.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.547 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 60.7 mtt -67.47 -39.15 85.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.525 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.647 HD23 HD21 ' A' ' 38' ' ' ASN . 96.5 mt -61.18 -36.95 81.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.546 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.408 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 66.3 t0 -48.67 -34.52 12.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.554 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.408 ' C ' ' H ' ' A' ' 59' ' ' LYS . 89.6 p -77.02 -7.68 56.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.533 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 55' ' ' LEU . . . -79.65 28.86 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.544 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.44 ' HG2' ' H ' ' A' ' 59' ' ' LYS . 28.7 pttt -70.43 98.2 1.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.616 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.11 0.74 41.52 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 65.3 mtp85 -103.78 160.83 14.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 0.0 110.581 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -92.89 147.32 22.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.613 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.404 HD13 HG21 ' A' ' 63' ' ' ILE . 16.4 pt -132.83 159.71 43.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.557 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -119.64 97.54 5.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.566 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.547 HG22 HD23 ' A' ' 36' ' ' LEU . 14.9 t -79.0 128.36 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.576 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -126.94 140.51 52.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.472 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.09 137.46 37.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.579 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.676 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 39.3 m -125.26 142.2 51.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.556 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 127.89 -177.2 17.72 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.749 ' HD2' ' O ' ' A' ' 31' ' ' ASP . 44.3 Cg_endo -71.7 -30.88 13.96 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.828 2.352 . . . . 0.0 112.087 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.746 ' NE2' ' H ' ' A' ' 31' ' ' ASP . 72.9 mt-30 -102.43 9.8 39.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.597 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.448 ' CG ' ' N ' ' A' ' 73' ' ' GLU . 22.3 pt-20 -46.57 -45.63 18.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.518 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.448 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 1.9 pt-20 -60.1 -44.49 94.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.515 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.405 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 90.5 mt-10 -61.58 -49.99 74.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.563 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.556 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -58.09 -47.37 83.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.465 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.541 HD21 ' HB2' ' A' ' 5' ' ' GLN . 3.4 tp -64.24 -45.97 85.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.519 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.53 -42.3 99.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.505 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.36 -45.32 93.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.478 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.651 ' CG2' HD21 ' A' ' 23' ' ' LEU . 96.8 t -68.08 -45.02 84.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.533 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 59.0 mt -62.55 -44.0 98.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.442 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.85 -34.04 73.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.49 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -74.21 -40.88 62.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.549 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -67.59 -33.33 74.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.565 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.576 ' O ' ' C ' ' A' ' 85' ' ' SER . 89.5 m-20 -93.86 -4.57 49.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.528 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.576 ' C ' ' O ' ' A' ' 84' ' ' ASN . 11.4 t . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.554 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.9 mtm . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.794 HG22 ' OG1' ' A' ' 68' ' ' THR . 67.5 p -83.2 159.67 21.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.51 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 94.1 t -137.02 117.49 17.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.576 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.623 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 48.3 pttt -123.25 174.52 7.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.645 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.623 ' HG3' ' O ' ' A' ' 4' ' ' LYS . 52.2 mt-30 -163.86 134.58 4.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.479 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.17 124.62 28.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.641 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 93.2 t -125.08 133.21 70.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.512 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.462 ' OE1' ' N ' ' A' ' 8' ' ' GLU . 37.6 mp0 -88.22 128.1 35.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.541 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.425 HD12 ' HB1' ' A' ' 58' ' ' ALA . 36.5 mt -82.12 125.39 39.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.538 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.611 ' O ' ' HB2' ' A' ' 11' ' ' ASN . 22.2 m -120.88 103.71 9.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.551 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.718 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 63.9 m-20 81.42 -47.46 0.23 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.489 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.718 ' HG3' ' O ' ' A' ' 11' ' ' ASN . 95.8 mttt -166.95 177.47 6.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.555 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.2 mt -62.04 -28.3 69.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.562 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 172.1 -136.51 3.85 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.412 ' O ' ' N ' ' A' ' 17' ' ' ALA . 97.6 mtp -75.83 98.89 4.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.811 0.339 . . . . 0.0 110.514 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 56.75 -88.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.551 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 15' ' ' MET . . . -157.43 9.36 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.48 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.551 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 38.9 mtt180 -58.8 -48.51 96.69 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.57 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 18' ' ' ARG . 52.5 Cg_exo -47.74 -53.3 6.75 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.685 2.257 . . . . 0.0 112.113 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.492 ' HB1' ' CD2' ' A' ' 52' ' ' LEU . . . -64.62 -41.47 96.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.469 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 11.1 mmt -71.04 -48.03 55.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.472 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.8 tttm -61.3 -34.25 74.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.52 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.531 HD22 HG21 ' A' ' 34' ' ' VAL . 1.0 OUTLIER -46.73 -46.03 20.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.499 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.421 ' CZ ' ' O ' ' A' ' 46' ' ' ALA . 23.4 m-85 -56.7 -39.55 74.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.483 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -69.97 -37.82 75.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.417 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.614 ' O ' ' N ' ' A' ' 30' ' ' PHE . 5.8 mp -64.55 -43.18 94.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.49 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 83.9 mtp -56.94 -35.92 69.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.489 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -65.1 -41.17 95.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.488 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.15 -19.23 39.96 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.614 ' N ' ' O ' ' A' ' 26' ' ' LEU . 13.2 m-85 -100.73 122.7 43.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.821 0.343 . . . . 0.0 110.538 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.646 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 11.6 m-20 -79.33 95.35 5.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.596 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.646 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 163.75 153.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.615 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -101.17 129.24 47.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.618 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.531 HG21 HD22 ' A' ' 23' ' ' LEU . 27.6 m -108.1 142.19 21.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.517 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 tt -140.22 138.44 35.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.607 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 mp -109.45 149.87 28.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.602 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -148.85 135.75 19.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.614 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.726 HD21 HD23 ' A' ' 55' ' ' LEU . 96.4 m-20 -91.17 157.92 16.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.561 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 59.4 t0 -54.04 -28.2 37.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.591 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.61 ' OE2' ' NH2' ' A' ' 61' ' ' ARG . 43.8 mt-10 -66.56 -9.33 34.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.533 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.41 5.36 65.35 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.6 m -78.01 117.99 19.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.727 0.299 . . . . 0.0 110.59 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.4 ' H ' ' CD ' ' A' ' 43' ' ' GLU . 6.0 pm0 -81.58 103.31 11.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.579 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.592 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -90.6 70.29 6.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.535 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -38.8 120.54 0.97 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.574 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.447 ' CB ' HG23 ' A' ' 34' ' ' VAL . . . -57.92 -27.58 63.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.511 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -90.8 42.97 1.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.573 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.9 t -154.81 120.58 5.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.551 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.3 m -66.72 -32.51 58.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.629 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 86.9 mt -61.52 -36.36 72.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.581 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.592 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -69.67 -42.53 74.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.564 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.492 ' CD2' ' HB1' ' A' ' 20' ' ' ALA . 5.9 mp -56.21 -39.44 72.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.524 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.831 HD23 ' O ' ' A' ' 53' ' ' LEU . 1.7 tt -67.76 -35.75 79.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.539 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 14.3 tpt -70.36 -33.64 71.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.472 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.726 HD23 HD21 ' A' ' 38' ' ' ASN . 94.9 mt -63.5 -26.2 68.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.61 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.421 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 67.1 t0 -51.72 -33.19 33.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.558 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 84.8 p -78.75 -5.74 54.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.516 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.425 ' HB1' HD12 ' A' ' 9' ' ' ILE . . . -80.2 13.02 2.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.514 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.407 ' HG2' ' H ' ' A' ' 59' ' ' LYS . 31.1 pttt -60.76 97.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.562 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 103.65 1.68 46.51 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.61 ' NH2' ' OE2' ' A' ' 40' ' ' GLU . 25.1 mtp180 -103.7 159.66 15.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.776 0.322 . . . . 0.0 110.563 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -91.37 145.81 24.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.617 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 20.4 pt -132.69 161.0 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.588 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -121.78 100.04 6.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.591 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 8.6 t -81.0 128.78 38.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.538 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 75.4 tt0 -124.12 140.06 53.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.567 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.93 135.93 36.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.642 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.794 ' OG1' HG22 ' A' ' 2' ' ' THR . 28.8 m -130.01 131.49 45.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.52 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.473 ' N ' ' HB3' ' A' ' 72' ' ' GLU . . . 138.05 167.4 11.01 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -47.78 -43.72 28.39 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.792 2.328 . . . . 0.0 112.045 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.558 ' NE2' ' OD2' ' A' ' 31' ' ' ASP . 79.0 mt-30 -98.36 20.4 12.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.578 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.473 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 22.7 pt-20 -52.78 -43.0 65.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.591 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.462 ' N ' ' CG ' ' A' ' 72' ' ' GLU . 91.1 mt-10 -66.67 -45.29 79.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.501 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -63.7 -49.88 71.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.532 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.555 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -56.56 -48.12 78.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.481 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.438 HD23 HE21 ' A' ' 5' ' ' GLN . 4.9 tp -63.72 -43.84 95.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.522 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.62 -42.44 96.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.498 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.19 -44.29 95.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.482 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 75' ' ' ALA . 45.4 t -66.65 -43.21 90.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.463 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 68.3 mt -63.22 -42.19 95.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.556 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.16 -36.27 83.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.481 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 55.5 mt -72.35 -38.66 68.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.514 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -68.18 -31.88 71.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.573 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.581 ' O ' ' CB ' ' A' ' 85' ' ' SER . 86.8 m-20 -79.26 -9.21 59.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.503 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.581 ' CB ' ' O ' ' A' ' 84' ' ' ASN . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.022 -0.99 . . . . 0.0 110.541 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.566 ' O ' HG23 ' A' ' 68' ' ' THR . 23.0 ttt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.48 HG21 ' OE2' ' A' ' 66' ' ' GLU . 2.6 m -131.35 134.97 46.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.621 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.751 HG23 ' OE2' ' A' ' 72' ' ' GLU . 78.6 t -129.86 111.22 21.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.481 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.568 ' HD3' ' H ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -111.34 151.82 27.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.552 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.447 ' OE1' HD11 ' A' ' 80' ' ' ILE . 55.4 tt0 -158.96 133.16 7.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.558 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.06 138.67 37.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.617 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 93.8 t -138.15 128.2 34.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.468 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -71.23 131.29 43.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.656 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.897 HG21 ' O ' ' A' ' 58' ' ' ALA . 4.8 mm -83.94 118.65 31.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.532 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.811 HG23 ' O ' ' A' ' 10' ' ' THR . 10.0 t -134.6 102.94 5.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.635 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.805 ' HB2' ' O ' ' A' ' 10' ' ' THR . 98.2 m-20 83.87 26.92 0.09 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.609 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.584 ' CB ' ' O ' ' A' ' 11' ' ' ASN . 19.5 mttp 88.81 -164.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.643 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.777 HD12 ' HB2' ' A' ' 20' ' ' ALA . 23.3 mt -73.73 26.31 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.634 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.502 ' H ' ' C ' ' A' ' 12' ' ' LYS . . . 121.76 -112.73 2.11 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 22.0 mmt -74.9 -147.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.85 0.357 . . . . 0.0 110.619 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.628 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 77.7 t60 -64.01 -30.5 71.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.572 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.628 ' HB2' ' O ' ' A' ' 16' ' ' HIS . . . 165.51 4.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.601 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.548 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 16.0 mtm180 -56.56 -47.99 97.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.595 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.6 ' CB ' ' O ' ' A' ' 13' ' ' LEU . 51.2 Cg_exo -48.17 -54.46 5.23 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.738 2.292 . . . . 0.0 112.111 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.782 ' HB1' HD22 ' A' ' 52' ' ' LEU . . . -63.35 -42.33 98.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.577 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 14.6 mmt -69.0 -41.53 77.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.482 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.8 tptt -63.56 -36.7 84.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.515 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.463 HD21 ' CG2' ' A' ' 79' ' ' VAL . 1.5 mt -49.01 -46.39 43.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.46 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.477 ' CE1' ' O ' ' A' ' 46' ' ' ALA . 6.1 m-85 -54.11 -40.02 66.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.492 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -72.61 -35.92 67.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.525 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.54 HD22 ' CE1' ' A' ' 30' ' ' PHE . 57.0 mt -63.02 -44.25 96.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.54 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.48 ' O ' ' O ' ' A' ' 30' ' ' PHE . 59.7 mtp -56.7 -35.68 68.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.557 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -73.19 -44.61 59.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.508 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -71.69 -33.35 63.5 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.54 ' CE1' HD22 ' A' ' 26' ' ' LEU . 5.9 m-30 -102.36 148.23 25.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.844 0.354 . . . . 0.0 110.593 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.543 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 92.6 m-20 -93.91 93.84 8.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.521 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.543 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 170.2 153.53 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.491 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 68' ' ' THR . 85.8 tt0 -98.26 133.88 42.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.591 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 73.8 t -107.8 140.18 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.478 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.414 HD21 ' CD ' ' A' ' 37' ' ' ARG . 1.2 tt -139.76 132.86 29.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.647 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.576 HD22 HG22 ' A' ' 65' ' ' VAL . 48.8 mt -108.82 151.25 26.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.49 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.414 ' CD ' HD21 ' A' ' 35' ' ' LEU . 56.5 mtp180 -148.35 134.32 19.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.538 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.812 HD21 HD23 ' A' ' 55' ' ' LEU . 79.0 m-20 -93.23 156.22 16.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.638 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.427 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 62.8 t0 -57.18 -29.9 64.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.613 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -65.61 -19.46 65.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.587 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 103.05 12.09 32.61 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 83.9 m -86.45 112.58 21.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 110.548 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -79.98 106.2 11.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.594 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.653 ' CA ' ' HB1' ' A' ' 51' ' ' ALA . . . -94.76 71.82 3.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.568 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.433 ' C ' ' H ' ' A' ' 47' ' ' ASN . 97.3 mt-10 -38.53 120.65 0.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.566 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.477 ' O ' ' CE1' ' A' ' 24' ' ' PHE . . . -64.38 0.29 1.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.604 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.433 ' H ' ' C ' ' A' ' 45' ' ' GLU . 54.1 p30 -112.52 27.9 9.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.611 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.5 m -144.67 125.41 14.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.615 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 35.4 m -65.46 -34.65 71.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.654 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 84.5 mt -61.54 -36.6 74.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.604 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.653 ' HB1' ' CA ' ' A' ' 44' ' ' ALA . . . -67.72 -40.69 84.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.562 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.782 HD22 ' HB1' ' A' ' 20' ' ' ALA . 91.9 mt -60.26 -39.04 85.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.584 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.779 HD23 ' O ' ' A' ' 53' ' ' LEU . 1.2 tt -68.14 -32.28 72.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.559 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 14.9 tpt -70.23 -36.08 74.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.571 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.812 HD23 HD21 ' A' ' 38' ' ' ASN . 97.6 mt -64.46 -23.1 67.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.583 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.411 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 66.4 t0 -51.07 -36.38 39.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.552 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.427 ' C ' ' H ' ' A' ' 59' ' ' LYS . 94.5 p -75.76 -8.15 56.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.481 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.897 ' O ' HG21 ' A' ' 9' ' ' ILE . . . -77.97 32.65 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.573 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.427 ' H ' ' C ' ' A' ' 57' ' ' SER . 65.4 tttp -75.41 96.18 3.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.532 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 103.23 5.71 46.03 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.441 ' O ' ' HB ' ' A' ' 9' ' ' ILE . 87.4 mtt-85 -102.45 164.42 11.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.801 0.334 . . . . 0.0 110.581 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -99.34 143.67 29.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.565 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.401 HG21 HD13 ' A' ' 63' ' ' ILE . 15.8 pt -133.74 161.02 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.58 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -119.27 104.24 10.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.531 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.576 HG22 HD22 ' A' ' 36' ' ' LEU . 36.0 t -84.0 128.2 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.563 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.48 ' OE2' HG21 ' A' ' 2' ' ' THR . 14.5 tt0 -124.6 139.51 53.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.548 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.57 136.07 37.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.501 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.566 HG23 ' O ' ' A' ' 1' ' ' MET . 3.8 m -129.2 131.01 47.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.578 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.491 ' N ' ' HB3' ' A' ' 72' ' ' GLU . . . 139.83 164.66 9.98 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -47.24 -45.39 22.13 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.801 2.334 . . . . 0.0 112.145 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -99.61 20.93 13.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.599 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.751 ' OE2' HG23 ' A' ' 3' ' ' VAL . 12.4 pt-20 -51.76 -38.16 54.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.601 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -64.32 -47.91 77.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.576 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 73.9 tt0 -53.47 -50.81 64.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.51 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.707 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -55.17 -48.24 74.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.584 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.96 -45.99 91.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.498 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.15 -42.32 99.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.542 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.16 -43.75 98.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.575 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 75' ' ' ALA . 49.4 t -66.37 -43.7 91.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.601 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.447 HD11 ' OE1' ' A' ' 5' ' ' GLN . 56.4 mt -64.29 -41.24 91.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.488 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.66 -36.01 82.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.608 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.0 mt -72.43 -37.58 68.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.512 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -68.7 -31.56 70.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.578 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.698 ' O ' ' OG ' ' A' ' 85' ' ' SER . 83.2 m-20 -81.2 -6.03 58.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.543 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.698 ' OG ' ' O ' ' A' ' 84' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 118.033 -0.985 . . . . 0.0 110.548 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.5 ttp . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.601 HG22 ' OG1' ' A' ' 68' ' ' THR . 72.0 p -83.2 162.7 21.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.58 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.5 t -134.4 118.67 27.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.454 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 46.0 pttt -125.3 176.01 7.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.59 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.594 ' HB2' HD21 ' A' ' 76' ' ' LEU . 3.9 mt-30 -166.95 135.11 2.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.466 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.28 125.85 32.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.614 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 94.2 t -131.3 131.76 63.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.523 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -76.58 131.0 38.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.608 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.74 HG21 ' O ' ' A' ' 58' ' ' ALA . 6.7 mm -81.01 119.79 31.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.588 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.785 HG23 ' O ' ' A' ' 10' ' ' THR . 13.9 t -130.69 103.58 6.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.535 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.74 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 49.0 t30 80.05 30.07 0.25 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.548 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.74 ' HB2' ' O ' ' A' ' 11' ' ' ASN . 92.6 mttt 86.87 -162.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.564 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.844 HD13 ' HB2' ' A' ' 20' ' ' ALA . 36.7 mt -66.51 4.86 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.543 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.467 ' H ' ' C ' ' A' ' 12' ' ' LYS . . . 121.95 -108.34 1.29 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 95.9 mtp -90.71 96.92 10.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.767 0.317 . . . . 0.0 110.551 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 80.7 m80 59.46 -116.17 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.579 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -132.97 10.58 4.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.584 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.518 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 6.1 mtm180 -51.9 -50.28 78.98 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.593 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 18' ' ' ARG . 53.4 Cg_exo -47.35 -58.13 1.91 Allowed 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.823 2.348 . . . . 0.0 112.138 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.844 ' HB2' HD13 ' A' ' 13' ' ' LEU . . . -59.43 -45.56 91.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.546 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 48.4 mtt -63.92 -44.82 91.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.511 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -63.61 -35.75 81.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.508 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.708 HD22 HG21 ' A' ' 34' ' ' VAL . 2.1 mt -47.29 -46.82 25.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.504 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.563 ' CE1' ' O ' ' A' ' 46' ' ' ALA . 9.8 m-85 -50.04 -37.08 31.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.455 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -78.05 -34.58 50.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.552 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.7 mt -61.34 -49.53 76.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.522 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.6 ' HG3' ' N ' ' A' ' 28' ' ' GLN . 2.1 ppp? -56.62 -31.41 64.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.545 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.6 ' N ' ' HG3' ' A' ' 27' ' ' MET . 68.2 mt-30 -79.11 -43.48 23.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.55 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.74 -36.24 74.8 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.461 ' CD2' ' N ' ' A' ' 30' ' ' PHE . 4.6 m-85 -100.85 162.21 13.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.35 . . . . 0.0 110.521 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.605 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 93.2 m-20 -100.75 92.92 5.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.543 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.605 ' HB2' ' O ' ' A' ' 31' ' ' ASP . . . 167.28 157.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.549 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 68' ' ' THR . 86.8 tt0 -102.83 133.14 48.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.617 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.708 HG21 HD22 ' A' ' 23' ' ' LEU . 28.5 m -108.13 142.47 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.56 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 tt -142.44 137.99 30.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.56 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.654 HD23 HG22 ' A' ' 65' ' ' VAL . 9.9 mt -109.42 150.88 27.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.574 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -150.1 137.99 20.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.625 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.616 HD21 HD23 ' A' ' 55' ' ' LEU . 88.7 m-20 -91.68 154.76 18.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.571 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.469 ' OD1' ' N ' ' A' ' 40' ' ' GLU . 49.6 p-10 -54.86 -23.7 19.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.562 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.469 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 99.1 mt-10 -70.11 -16.19 63.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.571 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.92 9.96 47.52 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.6 m -85.16 115.32 22.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.711 0.291 . . . . 0.0 110.646 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -77.6 104.6 8.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.609 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.664 ' HA ' ' HB1' ' A' ' 51' ' ' ALA . . . -91.32 64.6 5.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.54 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -41.33 120.25 1.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.61 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.563 ' O ' ' CE1' ' A' ' 24' ' ' PHE . . . -62.75 -14.49 45.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.606 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.404 ' OD1' ' C ' ' A' ' 47' ' ' ASN . 45.2 p-10 -90.47 16.68 8.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.583 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 m -137.09 122.78 19.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.589 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.465 ' H ' HG22 ' A' ' 49' ' ' VAL . 3.7 m -64.03 -34.66 70.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.566 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 84.0 mt -62.41 -36.23 73.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.5 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.664 ' HB1' ' HA ' ' A' ' 44' ' ' ALA . . . -66.67 -40.83 88.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.573 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.611 HD22 ' HB1' ' A' ' 20' ' ' ALA . 91.9 mt -60.11 -36.85 78.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.573 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.3 tp -66.42 -36.39 82.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.587 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 20.4 mmt -66.54 -36.14 81.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.611 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.616 HD23 HD21 ' A' ' 38' ' ' ASN . 96.2 mt -63.76 -25.57 68.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.662 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -52.06 -36.92 52.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.553 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.472 ' C ' ' H ' ' A' ' 59' ' ' LYS . 92.6 p -76.87 -7.04 54.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.63 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.74 ' O ' HG21 ' A' ' 9' ' ' ILE . . . -75.99 29.99 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.58 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.472 ' H ' ' C ' ' A' ' 57' ' ' SER . 29.9 pttt -74.74 94.09 2.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.506 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 104.96 3.21 42.37 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.4 mtp85 -101.14 165.54 11.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.837 0.351 . . . . 0.0 110.564 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -100.51 142.79 31.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.599 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 21.5 pt -130.4 162.87 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.535 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -122.03 104.43 9.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.566 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.654 HG22 HD23 ' A' ' 36' ' ' LEU . 21.0 t -85.07 124.33 39.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.547 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -121.29 140.35 52.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.623 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.51 132.8 33.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.509 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.601 ' OG1' HG22 ' A' ' 2' ' ' THR . 29.4 m -122.53 131.19 53.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.569 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.478 ' HA3' ' CB ' ' A' ' 32' ' ' ALA . . . 139.47 163.94 9.7 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -47.36 -46.94 18.72 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.844 2.363 . . . . 0.0 112.158 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.53 ' O ' ' N ' ' A' ' 74' ' ' GLU . 76.9 mt-30 -92.65 5.99 48.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.606 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.475 ' HB3' ' N ' ' A' ' 69' ' ' GLY . 23.4 pt-20 -34.78 -37.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.553 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.479 ' HG3' ' H ' ' A' ' 74' ' ' GLU . 2.2 pt-20 -65.74 -47.27 75.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.606 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.53 ' N ' ' O ' ' A' ' 71' ' ' GLN . 35.2 tp10 -55.71 -52.46 63.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.582 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.498 ' O ' HG23 ' A' ' 79' ' ' VAL . . . -54.76 -46.5 74.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.463 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.594 HD21 ' HB2' ' A' ' 5' ' ' GLN . 57.5 tp -65.47 -43.16 91.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.532 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.73 -42.39 98.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.584 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.47 -43.22 99.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.511 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.546 ' CG2' HD21 ' A' ' 23' ' ' LEU . 85.7 t -67.1 -41.75 87.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.513 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 47.3 mt -67.01 -38.89 82.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.55 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.35 -37.36 85.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.467 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.3 mt -68.34 -38.88 81.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.454 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.571 ' CD2' ' N ' ' A' ' 83' ' ' PHE . 6.7 m-30 -72.23 -29.14 63.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.521 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.518 ' O ' ' OD1' ' A' ' 84' ' ' ASN . 65.0 t-20 -73.78 -18.44 60.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.502 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.467 ' OXT' ' O ' ' A' ' 84' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.49 179.976 . . . . . . . . 2 2 . 1 stop_ save_